RefChem:505751
TL;DR: RefChem:505751 (CAS 63149-10-0) 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-14-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-3-methyl-2,7-dioxo-, 1-ethyl ester, 3H-Dibenz(f,ij)isoquinoline-1-carboxylic acid, 6-((4-chloro-2-sulfophenyl)amino)-2,7-dihydro-3-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-3-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-3-methyl-2,7-dioxo-, 1-ethyl ester, Ethyl 6-[(4-chloro-2-sulphophenyl)amino]-2,7-dihydro-3-methyl-2,7-dioxo-3H-dibenz[f,ij]isoquinoline-1-carboxylate
| Molecular Formula | C26H19ClN2O7S |
|---|---|
| Molecular Weight | 538.06 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 538.0601 |
| Heavy Atoms | 37 |
| Complexity | 1100.0 |
Chemical Identifiers
| CAS Number | 63149-10-0 |
|---|---|
| SMILES | CCOC(=O)C1=C2C3=CC=CC=C3C(=O)C4=C(C=CC(=C42)N(C1=O)C)NC5=C(C=C(C=C5)Cl)S(=O)(=O)O |
| InChIKey | XAVDJYWQEBDPNQ-UHFFFAOYSA-N |
Product Overview
RefChem:505751 (CAS 63149-10-0), with molecular formula C26H19ClN2O7S and molecular weight 538.06 g/mol. IUPAC: 5-chloro-2-[(16-ethoxycarbonyl-14-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 RefChem:505751
Property Insights of RefChem:505751
The XLogP value of 4.1 indicates that RefChem:505751 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:505751. Following Lipinski's Rule of Five, RefChem:505751 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:505751?
The CAS number of RefChem:505751 is 63149-10-0.
What is the molecular formula of RefChem:505751?
The molecular formula of RefChem:505751 is C26H19ClN2O7S.
What is the molecular weight of RefChem:505751?
The molecular weight of RefChem:505751 is 538.06 g/mol.
Where can I buy RefChem:505751?
You can request a quote for RefChem:505751 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:505751?
Yes, KEHONG BIO provides custom synthesis services for RefChem:505751 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.