4,5-dihydro-4-[[2-methoxy-5-methyl-4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid (CAS 21016-00-2) — formula C20H20N4O13S3, molecular weight 620.6; category organic chemicals.
| CAS Number | 21016-00-2 |
|---|---|
| Molecular Formula | C20H20N4O13S3 |
| Molecular Weight | 620.6 |
| LogP | 0.2 |
| Category | Organic Chemicals |
4,5-dihydro-4-[[2-methoxy-5-methyl-4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid is a carbon-based organic compound with CAS registry number 21016-00-2 and molecular formula C20H20N4O13S3 (molecular weight 620.6), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 21016-00-2
Its molecular formula C20H20N4O13S3 comprises 20 C, 20 H, 4 N, 13 O, 3 S atoms.
Also known as: 4,5-dihydro-4-[[2-methoxy-5-methyl-4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid · 4,5-二氢-4-[[2-甲氧基-5-甲基-4-[[2-(磺氧基)乙基]磺酰基]苯基]偶氮]-5-氧代-1-(4-磺基苯基)-1H-吡唑-3-甲酸
Category: organic chemicals
The CAS registry number of 4,5-dihydro-4-[[2-methoxy-5-methyl-4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid is 21016-00-2.
Molecular formula C20H20N4O13S3, molecular weight 620.6.
It is also registered under: 4,5-dihydro-4-[[2-methoxy-5-methyl-4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid, 4,5-二氢-4-[[2-甲氧基-5-甲基-4-[[2-(磺氧基)乙基]磺酰基]苯基]偶氮]-5-氧代-1-(4-磺基苯基)-1H-吡唑-3-甲酸.
Category: Organic Chemicals.
Independent reference data for 4,5-dihydro-4-[[2-methoxy-5-methyl-4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid (CAS 21016-00-2), compiled from public chemistry databases.
| CAS 号 | 21016-00-2 |
|---|---|
| PubChem CID | 89410 |
| 分子式 | C20H20N4O13S3 |
| IUPAC 名称 | 4-[[2-methoxy-5-methyl-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid |
| UNII（FDA） | NS00052154 |
| Molecular Weight | 620.6 |
|---|---|
| XLogP3 | 0.2 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 16 |
| Rotatable Bond Count | 11 |
| Exact Mass | 620.01890023 |
| Monoisotopic Mass | 620.01890023 |
| Topological Polar Surface Area | 281 |
| Heavy Atom Count | 40 |
21016-00-2; RefChem:285415; EINECS 244-146-5; XWBRDSPQNJLYFS-UHFFFAOYSA-N; DTXSID201101417; NS00052154
4,5-二氢-4-[[2-甲氧基-5-甲基-4-[[2-(磺氧基)乙基]磺酰基]苯基]偶氮]-5-氧代-1-(4-磺基苯基)-1H-吡唑-3-甲酸 · CAS 21016-00-2 · C20H20N4O13S3. UNII NS00052154.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 4,5-二氢-4-[[2-甲氧基-5-甲基-4-[[2-(磺氧基)乙基]磺酰基]苯基]偶氮]-5-氧代-1-(4-磺基苯基)-1H-吡唑-3-甲酸