N-[4-chloro-3-[[4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]amino]phenyl]-2-[4-[(4-hydroxyphenyl)sulphonyl]phenoxy]dodecanamide (CAS 87001-12-5) — formula C39H40Cl4N4O6S, molecular weight 834.6; category organic chemicals.
| CAS Number | 87001-12-5 |
|---|---|
| Molecular Formula | C39H40Cl4N4O6S |
| Molecular Weight | 834.6 |
| LogP | 11.4 |
| Category | Organic Chemicals |
N-[4-chloro-3-[[4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]amino]phenyl]-2-[4-[(4-hydroxyphenyl)sulphonyl]phenoxy]dodecanamide is a carbon-based organic compound with CAS registry number 87001-12-5 and molecular formula C39H40Cl4N4O6S (molecular weight 834.6), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 87001-12-5
Its molecular formula C39H40Cl4N4O6S comprises 39 C, 40 H, 4 Cl, 4 N, 6 O, 1 S atoms.
Also known as: N-[4-chloro-3-[[4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]amino]phenyl]-2-[4-[(4-hydroxyphenyl)sulphonyl]phenoxy]dodecanamide · N-[4-氯-3-[[4,5-二氢-5-氧代-1-(2,4,6-三氯苯基)-1H-吡唑-3-基]氨基]苯基]-2-[4-[(4-羟基苯基)磺酰基]苯氧基]十二酰胺
Category: organic chemicals
The CAS registry number of N-[4-chloro-3-[[4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]amino]phenyl]-2-[4-[(4-hydroxyphenyl)sulphonyl]phenoxy]dodecanamide is 87001-12-5.
Molecular formula C39H40Cl4N4O6S, molecular weight 834.6.
It is also registered under: N-[4-chloro-3-[[4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]amino]phenyl]-2-[4-[(4-hydroxyphenyl)sulphonyl]phenoxy]dodecanamide, N-[4-氯-3-[[4,5-二氢-5-氧代-1-(2,4,6-三氯苯基)-1H-吡唑-3-基]氨基]苯基]-2-[4-[(4-羟基苯基)磺酰基]苯氧基]十二酰胺.
Category: Organic Chemicals.
Independent reference data for N-[4-chloro-3-[[4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]amino]phenyl]-2-[4-[(4-hydroxyphenyl)sulphonyl]phenoxy]dodecanamide (CAS 87001-12-5), compiled from public chemistry databases.
| CAS 号 | 87001-12-5 |
|---|---|
| PubChem CID | 135687070 |
| 分子式 | C39H40Cl4N4O6S |
| IUPAC 名称 | N-[4-chloro-3-[[5-oxo-1-(2,4,6-trichlorophenyl)pyrazolidin-3-ylidene]amino]phenyl]-2-[4-(4-hydroxyphenyl)sulfonylphenoxy]dodecanamide |
| UNII（FDA） | NS00064873 |
| Molecular Weight | 834.6 |
|---|---|
| XLogP3 | 11.4 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 17 |
| Exact Mass | 834.139317 |
| Monoisotopic Mass | 832.142267 |
| Topological Polar Surface Area | 146 |
| Heavy Atom Count | 54 |
EINECS 289-293-6; 87001-12-5; SCHEMBL14020054; JTVOJWAROXFHTH-UHFFFAOYSA-N; DTXSID501007246; NS00064873
N-[4-氯-3-[[4,5-二氢-5-氧代-1-(2,4,6-三氯苯基)-1H-吡唑-3-基]氨基]苯基]-2-[4-[(4-羟基苯基)磺酰基]苯氧基]十二酰胺 · CAS 87001-12-5 · C39H40Cl4N4O6S. UNII NS00064873.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: N-[4-氯-3-[[4,5-二氢-5-氧代-1-(2,4,6-三氯苯基)-1H-吡唑-3-基]氨基]苯基]-2-[4-[(4-羟基苯基)磺酰基]苯氧基]十二酰胺