4-cyanobenzenesulfonic Acid
TL;DR: 4-cyanobenzenesulfonic Acid (CAS 13152-87-9) is a chemical compound with molecular formula C7H5NO3S and molecular weight 183.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-cyanobenzenesulfonic acid
Also Known As: 4-cyanobenzenesulfonic Acid, starbld0022124, 4-cyano-benzenesulfonic acid, VWT
| Molecular Formula | C7H5NO3S |
|---|---|
| Molecular Weight | 183.00 g/mol |
| LogP | 0.80498 |
| Topological Polar Surface Area | 78.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 182.99901 |
| Heavy Atoms | 12 |
| Complexity | 412.95987 |
Chemical Identifiers
| CAS Number | 13152-87-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)S(=O)(=O)O |
Product Overview
4-cyanobenzenesulfonic Acid (CAS 13152-87-9), with molecular formula C7H5NO3S and molecular weight 183.00 g/mol. IUPAC: 4-cyanobenzenesulfonic acid.
Chemical Property Profile of 4-cyanobenzenesulfonic Acid
Property Insights of 4-cyanobenzenesulfonic Acid
The XLogP value of 0.80498 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-cyanobenzenesulfonic Acid. The TPSA of 78.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-cyanobenzenesulfonic Acid. Following Lipinski's Rule of Five, 4-cyanobenzenesulfonic 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-cyanobenzenesulfonic Acid?
The CAS number of 4-cyanobenzenesulfonic Acid is 13152-87-9.
What is the molecular formula of 4-cyanobenzenesulfonic Acid?
The molecular formula of 4-cyanobenzenesulfonic Acid is C7H5NO3S.
What is the molecular weight of 4-cyanobenzenesulfonic Acid?
The molecular weight of 4-cyanobenzenesulfonic Acid is 183.00 g/mol.
Where can I buy 4-cyanobenzenesulfonic Acid?
You can request a quote for 4-cyanobenzenesulfonic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-cyanobenzenesulfonic Acid?
Yes, KEHONG BIO provides custom synthesis services for 4-cyanobenzenesulfonic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.