N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-4-[[[3-[[[4-hydroxy-8-[[2-(methylsulphonyl)-4-nitrophenyl]azo]-1-naphthyl]amino]sulphonyl]phenyl]sulphonyl]amino]naphthalene-2-carboxamide (CAS 63059-54-1) — formula C54H58N6O12S3, molecular weight 1079.3; category organic chemicals.
| CAS Number | 63059-54-1 |
|---|---|
| Molecular Formula | C54H58N6O12S3 |
| Molecular Weight | 1079.3 |
| LogP | 12.2 |
| Applications | General Manufacturing Information: 2-Naphthalenecarboxamide, N-[4-[2, 4-bis(1, 1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-4-[[[3-[[[4-hydroxy-8-[2-[2-(methylsulfonyl)-4-nitrophenyl]diazenyl]-1-naphthalenyl]amino]sulfonyl]phenyl]sulfonyl]amino]-: INACTIVE |
| Category | Organic Chemicals |
Documented applications: General Manufacturing Information: 2-Naphthalenecarboxamide, N-[4-[2, 4-bis(1, 1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-4-[[[3-[[[4-hydroxy-8-[2-[2-(methylsulfonyl)-4-nitrophenyl]diazenyl]-1-naphthalenyl]amino]sulfonyl]phenyl]sulfonyl]amino]-: INACTIVE.
N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-4-[[[3-[[[4-hydroxy-8-[[2-(methylsulphonyl)-4-nitrophenyl]azo]-1-naphthyl]amino]sulphonyl]phenyl]sulphonyl]amino]naphthalene-2-carboxamide is a carbon-based organic compound with CAS registry number 63059-54-1 and molecular formula C54H58N6O12S3 (molecular weight 1079.3), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 63059-54-1
Its molecular formula C54H58N6O12S3 comprises 54 C, 58 H, 6 N, 12 O, 3 S atoms.
Also known as: N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-4-[[[3-[[[4-hydroxy-8-[[2-(methylsulphonyl)-4-nitrophenyl]azo]-1-naphthyl]amino]sulphonyl]phenyl]sulphonyl]amino]naphthalene-2-carboxamide · N-[4-[2,4-双(1,1-二甲基丙基)苯氧基]丁基]-1-羟基-4-[[[3-[[[4-羟基-8-[[2-(甲基磺酰基)-4-硝基苯基]偶氮]-1-萘基]氨基]磺酰基]苯基]磺酰基]氨基]萘-2-甲酰胺
Category: organic chemicals
The CAS registry number of N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-4-[[[3-[[[4-hydroxy-8-[[2-(methylsulphonyl)-4-nitrophenyl]azo]-1-naphthyl]amino]sulphonyl]phenyl]sulphonyl]amino]naphthalene-2-carboxamide is 63059-54-1.
Molecular formula C54H58N6O12S3, molecular weight 1079.3.
It is also registered under: N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-4-[[[3-[[[4-hydroxy-8-[[2-(methylsulphonyl)-4-nitrophenyl]azo]-1-naphthyl]amino]sulphonyl]phenyl]sulphonyl]amino]naphthalene-2-carboxamide, N-[4-[2,4-双(1,1-二甲基丙基)苯氧基]丁基]-1-羟基-4-[[[3-[[[4-羟基-8-[[2-(甲基磺酰基)-4-硝基苯基]偶氮]-1-萘基]氨基]磺酰基]苯基]磺酰基]氨基]萘-2-甲酰胺.
Recorded applications: General Manufacturing Information: 2-Naphthalenecarboxamide, N-[4-[2, 4-bis(1, 1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-4-[[[3-[[[4-hydroxy-8-[2-[2-(methylsulfonyl)-4-nitrophenyl]diazenyl]-1-naphthalenyl]amino]sulfonyl]phenyl]sulfonyl]amino]-: INACTIVE.
Category: Organic Chemicals.
Independent reference data for N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-4-[[[3-[[[4-hydroxy-8-[[2-(methylsulphonyl)-4-nitrophenyl]azo]-1-naphthyl]amino]sulphonyl]phenyl]sulphonyl]amino]naphthalene-2-carboxamide (CAS 63059-54-1), compiled from public chemistry databases.
| CAS 号 | 63059-54-1 |
|---|---|
| PubChem CID | 135666609 |
| 分子式 | C54H58N6O12S3 |
| IUPAC 名称 | N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1-hydroxy-4-[[3-[[4-hydroxy-8-[(2-methylsulfonyl-4-nitrophenyl)diazenyl]naphthalen-1-yl]sulfamoyl]phenyl]sulfonylamino]naphthalene-2-carboxamide |
| UNII（FDA） | SR62EF9RXH |
| Molecular Weight | 1079.3 |
|---|---|
| XLogP3 | 12.2 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 16 |
| Rotatable Bond Count | 20 |
| Exact Mass | 1078.32748483 |
| Monoisotopic Mass | 1078.32748483 |
| Topological Polar Surface Area | 301 |
| Heavy Atom Count | 75 |
EINECS 263-824-1; RefChem:476546; 63059-54-1; SR62EF9RXH; DTXSID7069657; HZPBCZNMTORVAS-UHFFFAOYSA-N; NS00035274
N-[4-[2,4-双(1,1-二甲基丙基)苯氧基]丁基]-1-羟基-4-[[[3-[[[4-羟基-8-[[2-(甲基磺酰基)-4-硝基苯基]偶氮]-1-萘基]氨基]磺酰基]苯基]磺酰基]氨基]萘-2-甲酰胺 · CAS 63059-54-1 · C54H58N6O12S3. UNII SR62EF9RXH.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.