4-(Cyano(phenylsulfonyl)methyl)heptanedioic acid
TL;DR: 4-(Cyano(phenylsulfonyl)methyl)heptanedioic acid (CAS 316360-29-9) is a chemical compound with molecular formula C15H17NO6S and molecular weight 339.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[benzenesulfonyl(cyano)methyl]heptanedioic acid
Also Known As: 4-(benzenesulfonyl-cyano-methyl)heptanedioic Acid, 4-(cyano(phenylsulfonyl)methyl)heptanedioic acid, 4-[benzenesulfonyl(cyano)methyl]heptanedioic acid, 4-[cyano(phenylsulfonyl)methyl]heptanedioic acid
| Molecular Formula | C15H17NO6S |
|---|---|
| Molecular Weight | 339.08 g/mol |
| LogP | 1.69828 |
| Topological Polar Surface Area | 132.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 339.07767 |
| Heavy Atoms | 23 |
| Complexity | 674.4273 |
Chemical Identifiers
| CAS Number | 316360-29-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)C(C#N)C(CCC(=O)O)CCC(=O)O |
Product Overview
4-(Cyano(phenylsulfonyl)methyl)heptanedioic acid (CAS 316360-29-9), with molecular formula C15H17NO6S and molecular weight 339.08 g/mol. IUPAC: 4-[benzenesulfonyl(cyano)methyl]heptanedioic acid.
Chemical Property Profile of 4-(Cyano(phenylsulfonyl)methyl)heptanedioic acid
Property Insights of 4-(Cyano(phenylsulfonyl)methyl)heptanedioic acid
The XLogP value of 1.69828 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Cyano(phenylsulfonyl)methyl)heptanedioic acid. The TPSA of 132.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Cyano(phenylsulfonyl)methyl)heptanedioic acid. Following Lipinski's Rule of Five, 4-(Cyano(phenylsulfonyl)methyl)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-(Cyano(phenylsulfonyl)methyl)heptanedioic acid?
The CAS number of 4-(Cyano(phenylsulfonyl)methyl)heptanedioic acid is 316360-29-9.
What is the molecular formula of 4-(Cyano(phenylsulfonyl)methyl)heptanedioic acid?
The molecular formula of 4-(Cyano(phenylsulfonyl)methyl)heptanedioic acid is C15H17NO6S.
What is the molecular weight of 4-(Cyano(phenylsulfonyl)methyl)heptanedioic acid?
The molecular weight of 4-(Cyano(phenylsulfonyl)methyl)heptanedioic acid is 339.08 g/mol.
Where can I buy 4-(Cyano(phenylsulfonyl)methyl)heptanedioic acid?
You can request a quote for 4-(Cyano(phenylsulfonyl)methyl)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-(Cyano(phenylsulfonyl)methyl)heptanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Cyano(phenylsulfonyl)methyl)heptanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.