6-[4-[[4-[(4-ethoxy-3-sulphophenyl)methylamino]phenyl]methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]naphthalene-2-sulphonic acid (CAS 94158-29-9) — formula C30H27N3O8S2, molecular weight 621.7; category organic chemicals.
| CAS Number | 94158-29-9 |
|---|---|
| Molecular Formula | C30H27N3O8S2 |
| Molecular Weight | 621.7 |
| LogP | 4.2 |
| Category | Organic Chemicals |
6-[4-[[4-[(4-ethoxy-3-sulphophenyl)methylamino]phenyl]methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]naphthalene-2-sulphonic acid is a carbon-based organic compound with CAS registry number 94158-29-9 and molecular formula C30H27N3O8S2 (molecular weight 621.7), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 94158-29-9
Its molecular formula C30H27N3O8S2 comprises 30 C, 27 H, 3 N, 8 O, 2 S atoms.
Also known as: 6-[4-[[4-[(4-ethoxy-3-sulphophenyl)methylamino]phenyl]methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]naphthalene-2-sulphonic acid · 6-[4-[[4-[(4-乙氧基-3-磺基苯基)甲基氨基]苯基]亚甲基]-4,5-二氢-3-甲基-5-氧代-1H-吡唑-1-基]萘-2-磺酸
Category: organic chemicals
The CAS registry number of 6-[4-[[4-[(4-ethoxy-3-sulphophenyl)methylamino]phenyl]methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]naphthalene-2-sulphonic acid is 94158-29-9.
Molecular formula C30H27N3O8S2, molecular weight 621.7.
It is also registered under: 6-[4-[[4-[(4-ethoxy-3-sulphophenyl)methylamino]phenyl]methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]naphthalene-2-sulphonic acid, 6-[4-[[4-[(4-乙氧基-3-磺基苯基)甲基氨基]苯基]亚甲基]-4,5-二氢-3-甲基-5-氧代-1H-吡唑-1-基]萘-2-磺酸.
Category: Organic Chemicals.
Independent reference data for 6-[4-[[4-[(4-ethoxy-3-sulphophenyl)methylamino]phenyl]methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]naphthalene-2-sulphonic acid (CAS 94158-29-9), compiled from public chemistry databases.
| CAS 号 | 94158-29-9 |
|---|---|
| PubChem CID | 44147940 |
| 分子式 | C30H27N3O8S2 |
| IUPAC 名称 | 6-[(4Z)-4-[[4-(4-ethoxy-N-methyl-3-sulfoanilino)phenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]naphthalene-2-sulfonic acid |
| Molecular Weight | 621.7 |
|---|---|
| XLogP3 | 4.2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 8 |
| Exact Mass | 621.12395718 |
| Monoisotopic Mass | 621.12395718 |
| Topological Polar Surface Area | 171 |
| Heavy Atom Count | 43 |
EINECS 303-100-5; 94158-29-9; KKKVGGRHXURFQA-DICXZTSXSA-N
6-[4-[[4-[(4-乙氧基-3-磺基苯基)甲基氨基]苯基]亚甲基]-4,5-二氢-3-甲基-5-氧代-1H-吡唑-1-基]萘-2-磺酸 · CAS 94158-29-9 · C30H27N3O8S2.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 6-[4-[[4-[(4-乙氧基-3-磺基苯基)甲基氨基]苯基]亚甲基]-4,5-二氢-3-甲基-5-氧代-1H-吡唑-1-基]萘-2-磺酸