3H-Dibenz[f,ij]isoquinoline-1-carboxylic acid, 6-[(4-chloro-2-sulfophenyl) amino]-2,7-dihydro-4(or 5)-methyl-2,7-dioxo-, 1-ethyl ester (CAS 72121-77-8) — formula C26H19ClN2O7S, molecular weight 539.0; category organic chemicals.
| CAS Number | 72121-77-8 |
|---|---|
| Molecular Formula | C26H19ClN2O7S |
| Molecular Weight | 539.0 |
| LogP | 4.3 |
| Category | Organic Chemicals |
3H-Dibenz[f,ij]isoquinoline-1-carboxylic acid, 6-[(4-chloro-2-sulfophenyl) amino]-2,7-dihydro-4(or 5)-methyl-2,7-dioxo-, 1-ethyl ester is a carbon-based organic compound with CAS registry number 72121-77-8 and molecular formula C26H19ClN2O7S (molecular weight 539.0), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 72121-77-8
Its molecular formula C26H19ClN2O7S comprises 26 C, 19 H, 1 Cl, 2 N, 7 O, 1 S atoms.
Also known as: 3H-Dibenz[f,ij]isoquinoline-1-carboxylic acid, 6-[(4-chloro-2-sulfophenyl) amino]-2,7-dihydro-4(or 5)-methyl-2,7-dioxo-, 1-ethyl ester · 6-[(4-氯-2-硫苯基)氨基]-2,7-二氢-4(或5)-甲基-2,7-二氧代-3H-二苯并[F,IJ]异喹啉-1-羧酸-1-乙酯
Category: organic chemicals
The CAS registry number of 3H-Dibenz[f,ij]isoquinoline-1-carboxylic acid, 6-[(4-chloro-2-sulfophenyl) amino]-2,7-dihydro-4(or 5)-methyl-2,7-dioxo-, 1-ethyl ester is 72121-77-8.
Molecular formula C26H19ClN2O7S, molecular weight 539.0.
It is also registered under: 3H-Dibenz[f,ij]isoquinoline-1-carboxylic acid, 6-[(4-chloro-2-sulfophenyl) amino]-2,7-dihydro-4(or 5)-methyl-2,7-dioxo-, 1-ethyl ester, 6-[(4-氯-2-硫苯基)氨基]-2,7-二氢-4(或5)-甲基-2,7-二氧代-3H-二苯并[F,IJ]异喹啉-1-羧酸-1-乙酯.
Category: Organic Chemicals.
Independent reference data for 3H-Dibenz[f,ij]isoquinoline-1-carboxylic acid, 6-[(4-chloro-2-sulfophenyl) amino]-2,7-dihydro-4(or 5)-methyl-2,7-dioxo-, 1-ethyl ester (CAS 72121-77-8), compiled from public chemistry databases.
| CAS 号 | 72121-77-8 |
|---|---|
| PubChem CID | 5491030 |
| 分子式 | C26H19ClN2O7S |
| IUPAC 名称 | 5-chloro-2-[(16-ethoxycarbonyl-12-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaen-10-yl)amino]benzenesulfonic acid |
| Molecular Weight | 539.0 |
|---|---|
| XLogP3 | 4.3 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 6 |
| Exact Mass | 538.0601498 |
| Monoisotopic Mass | 538.0601498 |
| Topological Polar Surface Area | 147 |
| Heavy Atom Count | 37 |
6-[(4-氯-2-硫苯基)氨基]-2,7-二氢-4(或5)-甲基-2,7-二氧代-3H-二苯并[F,IJ]异喹啉-1-羧酸-1-乙酯 · CAS 72121-77-8 · C26H19ClN2O7S.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 6-[(4-氯-2-硫苯基)氨基]-2,7-二氢-4(或5)-甲基-2,7-二氧代-3H-二苯并[F,IJ]异喹啉-1-羧酸-1-乙酯