4-(4-Chloro-benzenesulfonyl)-4-cyano-heptanedioic acid
TL;DR: 4-(4-Chloro-benzenesulfonyl)-4-cyano-heptanedioic acid (CAS 34133-37-4) is a chemical compound with molecular formula C14H14ClNO6S and molecular weight 359.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)sulfonyl-4-cyanoheptanedioic acid
Also Known As: 4-(4-CHLORO-BENZENESULFONYL)-4-CYANO-HEPTANEDIOIC ACID, 4-(4-chlorophenyl)sulfonyl-4-cyanoheptanedioic acid, 4-(4-chlorophenyl)sulfonyl-4-cyano-heptanedioic Acid, 4-[(4-chlorophenyl)sulfonyl]-4-cyanoheptanedioic acid, 4-[(4-chlorobenzene)sulfonyl]-4-cyanoheptanedioic acid
| Molecular Formula | C14H14ClNO6S |
|---|---|
| Molecular Weight | 359.02 g/mol |
| LogP | 2.10568 |
| Topological Polar Surface Area | 132.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 359.02304 |
| Heavy Atoms | 23 |
| Complexity | 717.5261 |
Chemical Identifiers
| CAS Number | 34133-37-4 |
|---|---|
| SMILES | C1=CC(=CC=C1S(=O)(=O)C(CCC(=O)O)(CCC(=O)O)C#N)Cl |
Product Overview
4-(4-Chloro-benzenesulfonyl)-4-cyano-heptanedioic acid (CAS 34133-37-4), with molecular formula C14H14ClNO6S and molecular weight 359.02 g/mol. IUPAC: 4-(4-chlorophenyl)sulfonyl-4-cyanoheptanedioic acid.
Chemical Property Profile of 4-(4-Chloro-benzenesulfonyl)-4-cyano-heptanedioic acid
Property Insights of 4-(4-Chloro-benzenesulfonyl)-4-cyano-heptanedioic acid
The XLogP value of 2.10568 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Chloro-benzenesulfonyl)-4-cyano-heptanedioic acid. The TPSA of 132.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Chloro-benzenesulfonyl)-4-cyano-heptanedioic acid. Following Lipinski's Rule of Five, 4-(4-Chloro-benzenesulfonyl)-4-cyano-heptanedioic acid has 2 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 4-(4-Chloro-benzenesulfonyl)-4-cyano-heptanedioic acid?
The CAS number of 4-(4-Chloro-benzenesulfonyl)-4-cyano-heptanedioic acid is 34133-37-4.
What is the molecular formula of 4-(4-Chloro-benzenesulfonyl)-4-cyano-heptanedioic acid?
The molecular formula of 4-(4-Chloro-benzenesulfonyl)-4-cyano-heptanedioic acid is C14H14ClNO6S.
What is the molecular weight of 4-(4-Chloro-benzenesulfonyl)-4-cyano-heptanedioic acid?
The molecular weight of 4-(4-Chloro-benzenesulfonyl)-4-cyano-heptanedioic acid is 359.02 g/mol.
Where can I buy 4-(4-Chloro-benzenesulfonyl)-4-cyano-heptanedioic acid?
You can request a quote for 4-(4-Chloro-benzenesulfonyl)-4-cyano-heptanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Chloro-benzenesulfonyl)-4-cyano-heptanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Chloro-benzenesulfonyl)-4-cyano-heptanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.