A3471/0147181
TL;DR: A3471/0147181 (CAS 1009554-61-3) is a chemical compound with molecular formula C18H19NO6S and molecular weight 377.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
Also Known As: A3471/0147181, 2-[(2,5-dimethoxyphenyl)sulfonyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid, 2-[(2,5-dimethoxyphenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, 2-(2,5-dimethoxybenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, 2-(2,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
| Molecular Formula | C18H19NO6S |
|---|---|
| Molecular Weight | 377.09 g/mol |
| LogP | 1.904 |
| Topological Polar Surface Area | 93.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 377.09332 |
| Heavy Atoms | 26 |
| Complexity | 940.4476 |
Chemical Identifiers
| CAS Number | 1009554-61-3 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)O |
Product Overview
A3471/0147181 (CAS 1009554-61-3), with molecular formula C18H19NO6S and molecular weight 377.09 g/mol. IUPAC: 2-(2,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid.
Chemical Property Profile of A3471/0147181
Property Insights of A3471/0147181
The XLogP value of 1.904 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3471/0147181. The TPSA of 93.14 Ų falls within the moderate polarity range, balancing permeability and solubility for A3471/0147181. Following Lipinski's Rule of Five, A3471/0147181 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3471/0147181?
The CAS number of A3471/0147181 is 1009554-61-3.
What is the molecular formula of A3471/0147181?
The molecular formula of A3471/0147181 is C18H19NO6S.
What is the molecular weight of A3471/0147181?
The molecular weight of A3471/0147181 is 377.09 g/mol.
Where can I buy A3471/0147181?
You can request a quote for A3471/0147181 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3471/0147181?
Yes, KEHONG BIO provides custom synthesis services for A3471/0147181 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.