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
TL;DR: 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) is a chemical compound with molecular formula C26H19ClN2O7S and molecular weight 538.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
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, 3H-Naphtho(1,2,3-de)quinoline-1-carboxylic acid, 6-((4-chloro-2-sulfophenyl)amino)-2,7-dihydro-4(or 5)-methyl-2,7-dioxo-, 1-ethyl ester
| Molecular Formula | C26H19ClN2O7S |
|---|---|
| Molecular Weight | 538.06 g/mol |
| LogP | 4.86832 |
| Topological Polar Surface Area | 142.63 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 538.0601 |
| Heavy Atoms | 37 |
| Complexity | 1827.4315 |
Chemical Identifiers
| CAS Number | 72121-77-8 |
|---|---|
| SMILES | CCOC(=O)C1=C2C3=CC=CC=C3C(=O)C4=C(C=C(C(=C24)NC1=O)C)NC5=C(C=C(C=C5)Cl)S(=O)(=O)O |
Product Overview
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), with molecular formula C26H19ClN2O7S and molecular weight 538.06 g/mol. IUPAC: 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.
Chemical Property Profile 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
Property Insights 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
The XLogP value of 4.86832 indicates that 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 lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.63 Ų indicates high polarity, suggesting 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 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 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 has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS 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?
The CAS 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.
What is the molecular formula 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?
The molecular formula 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 C26H19ClN2O7S.
What is the molecular weight 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?
The molecular weight 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 538.06 g/mol.
Where can I buy 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?
You can request a quote 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 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis 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?
Yes, KEHONG BIO provides custom synthesis services 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 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.