4-Chloro-3-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzoic acid
TL;DR: 4-Chloro-3-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzoic acid (CAS 380337-05-3) is a chemical compound with molecular formula C16H14ClNO4S and molecular weight 351.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid
Also Known As: 4-chloro-3-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzoic acid, 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic Acid, 4-Chloro-3-(3,4-dihydro-1H-isoquinoline-2-sulfonyl)-benzoic acid, 4-chloro-3-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzoicacid
| Molecular Formula | C16H14ClNO4S |
|---|---|
| Molecular Weight | 351.03 g/mol |
| LogP | 2.7852 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 351.0332 |
| Heavy Atoms | 23 |
| Complexity | 879.399 |
Chemical Identifiers
| CAS Number | 380337-05-3 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=C(C=CC(=C3)C(=O)O)Cl |
Product Overview
4-Chloro-3-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzoic acid (CAS 380337-05-3), with molecular formula C16H14ClNO4S and molecular weight 351.03 g/mol. IUPAC: 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid.
Chemical Property Profile of 4-Chloro-3-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzoic acid
Property Insights of 4-Chloro-3-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzoic acid
The XLogP value of 2.7852 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-3-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzoic acid. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-3-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzoic acid. Following Lipinski's Rule of Five, 4-Chloro-3-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzoic acid has 1 hydrogen bond donor(s) and 3 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 4-Chloro-3-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzoic acid?
The CAS number of 4-Chloro-3-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzoic acid is 380337-05-3.
What is the molecular formula of 4-Chloro-3-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzoic acid?
The molecular formula of 4-Chloro-3-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzoic acid is C16H14ClNO4S.
What is the molecular weight of 4-Chloro-3-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzoic acid?
The molecular weight of 4-Chloro-3-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzoic acid is 351.03 g/mol.
Where can I buy 4-Chloro-3-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzoic acid?
You can request a quote for 4-Chloro-3-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-3-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-3-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.