4-Benzenesulfonyl-4-cyano-heptanedioic acid
TL;DR: 4-Benzenesulfonyl-4-cyano-heptanedioic acid (CAS 34133-35-2) is a chemical compound with molecular formula C14H15NO6S and molecular weight 325.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(benzenesulfonyl)-4-cyanoheptanedioic acid
Also Known As: 4-Benzenesulfonyl-4-cyano-heptanedioic acid, 4-cyano-4-(phenylsulfonyl)heptanedioic acid, 4-(benzenesulfonyl)-4-cyanoheptanedioic acid, BAS 00096621, AE-848/32075044
| Molecular Formula | C14H15NO6S |
|---|---|
| Molecular Weight | 325.06 g/mol |
| LogP | 1.45228 |
| Topological Polar Surface Area | 132.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 325.062 |
| Heavy Atoms | 22 |
| Complexity | 671.7933 |
Chemical Identifiers
| CAS Number | 34133-35-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)C(CCC(=O)O)(CCC(=O)O)C#N |
Product Overview
4-Benzenesulfonyl-4-cyano-heptanedioic acid (CAS 34133-35-2), with molecular formula C14H15NO6S and molecular weight 325.06 g/mol. IUPAC: 4-(benzenesulfonyl)-4-cyanoheptanedioic acid.
Chemical Property Profile of 4-Benzenesulfonyl-4-cyano-heptanedioic acid
Property Insights of 4-Benzenesulfonyl-4-cyano-heptanedioic acid
The XLogP value of 1.45228 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Benzenesulfonyl-4-cyano-heptanedioic acid. The TPSA of 132.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Benzenesulfonyl-4-cyano-heptanedioic acid. Following Lipinski's Rule of Five, 4-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-Benzenesulfonyl-4-cyano-heptanedioic acid?
The CAS number of 4-Benzenesulfonyl-4-cyano-heptanedioic acid is 34133-35-2.
What is the molecular formula of 4-Benzenesulfonyl-4-cyano-heptanedioic acid?
The molecular formula of 4-Benzenesulfonyl-4-cyano-heptanedioic acid is C14H15NO6S.
What is the molecular weight of 4-Benzenesulfonyl-4-cyano-heptanedioic acid?
The molecular weight of 4-Benzenesulfonyl-4-cyano-heptanedioic acid is 325.06 g/mol.
Where can I buy 4-Benzenesulfonyl-4-cyano-heptanedioic acid?
You can request a quote for 4-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-Benzenesulfonyl-4-cyano-heptanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzenesulfonyl-4-cyano-heptanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.