2-[3-[3-[1,5-dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-4H-pyrazol-4-ylidene]-5,5-dimethylcyclohex-1-en-1-yl]prop-2-enylidene]-2H-benzoxazole-3-propylsulphonic acid (CAS 63059-65-4) — formula C31H33N3O8S2, molecular weight 639.7; category organic chemicals.
| CAS Number | 63059-65-4 |
|---|---|
| Molecular Formula | C31H33N3O8S2 |
| Molecular Weight | 639.7 |
| LogP | 3.8 |
| Category | Organic Chemicals |
2-[3-[3-[1,5-dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-4H-pyrazol-4-ylidene]-5,5-dimethylcyclohex-1-en-1-yl]prop-2-enylidene]-2H-benzoxazole-3-propylsulphonic acid is a carbon-based organic compound with CAS registry number 63059-65-4 and molecular formula C31H33N3O8S2 (molecular weight 639.7), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 63059-65-4
Its molecular formula C31H33N3O8S2 comprises 31 C, 33 H, 3 N, 8 O, 2 S atoms.
Also known as: 2-[3-[3-[1,5-dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-4H-pyrazol-4-ylidene]-5,5-dimethylcyclohex-1-en-1-yl]prop-2-enylidene]-2H-benzoxazole-3-propylsulphonic acid · 2-[3-[3-[1,5-二氢-3-甲基-5-氧代-1-(4-磺基苯基)-4H-吡唑-4-亚基]-5,5-二甲基环己-1-烯-1-基]丙-2-亚基]-2H-苯并恶唑-3-丙基磺酸
Category: organic chemicals
The CAS registry number of 2-[3-[3-[1,5-dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-4H-pyrazol-4-ylidene]-5,5-dimethylcyclohex-1-en-1-yl]prop-2-enylidene]-2H-benzoxazole-3-propylsulphonic acid is 63059-65-4.
Molecular formula C31H33N3O8S2, molecular weight 639.7.
It is also registered under: 2-[3-[3-[1,5-dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-4H-pyrazol-4-ylidene]-5,5-dimethylcyclohex-1-en-1-yl]prop-2-enylidene]-2H-benzoxazole-3-propylsulphonic acid, 2-[3-[3-[1,5-二氢-3-甲基-5-氧代-1-(4-磺基苯基)-4H-吡唑-4-亚基]-5,5-二甲基环己-1-烯-1-基]丙-2-亚基]-2H-苯并恶唑-3-丙基磺酸.
Category: Organic Chemicals.
Independent reference data for 2-[3-[3-[1,5-dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-4H-pyrazol-4-ylidene]-5,5-dimethylcyclohex-1-en-1-yl]prop-2-enylidene]-2H-benzoxazole-3-propylsulphonic acid (CAS 63059-65-4), compiled from public chemistry databases.
| CAS 号 | 63059-65-4 |
|---|---|
| PubChem CID | 112550 |
| 分子式 | C31H33N3O8S2 |
| IUPAC 名称 | 4-[4-[5,5-dimethyl-3-[3-[3-(3-sulfopropyl)-1,3-benzoxazol-2-ylidene]prop-1-enyl]cyclohex-2-en-1-ylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonic acid |
| Molecular Weight | 639.7 |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 8 |
| Exact Mass | 639.17090737 |
| Monoisotopic Mass | 639.17090737 |
| Topological Polar Surface Area | 171 |
| Heavy Atom Count | 44 |
2-[3-[3-[1,5-二氢-3-甲基-5-氧代-1-(4-磺基苯基)-4H-吡唑-4-亚基]-5,5-二甲基环己-1-烯-1-基]丙-2-亚基]-2H-苯并恶唑-3-丙基磺酸 · CAS 63059-65-4 · C31H33N3O8S2.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2-[3-[3-[1,5-二氢-3-甲基-5-氧代-1-(4-磺基苯基)-4H-吡唑-4-亚基]-5,5-二甲基环己-1-烯-1-基]丙-2-亚基]-2H-苯并恶唑-3-丙基磺酸