(2-cyanophenyl)methanesulfonic Acid
TL;DR: (2-cyanophenyl)methanesulfonic Acid (CAS 764629-58-5) is a chemical compound with molecular formula C8H7NO3S and molecular weight 197.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-cyanophenyl)methanesulfonic acid
Also Known As: (2-cyanophenyl)methanesulfonic Acid
| Molecular Formula | C8H7NO3S |
|---|---|
| Molecular Weight | 197.01 g/mol |
| LogP | 0.94608 |
| Topological Polar Surface Area | 78.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 197.01466 |
| Heavy Atoms | 13 |
| Complexity | 444.7021 |
Chemical Identifiers
| CAS Number | 764629-58-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CS(=O)(=O)O)C#N |
Product Overview
(2-cyanophenyl)methanesulfonic Acid (CAS 764629-58-5), with molecular formula C8H7NO3S and molecular weight 197.01 g/mol. IUPAC: (2-cyanophenyl)methanesulfonic acid.
Chemical Property Profile of (2-cyanophenyl)methanesulfonic Acid
Property Insights of (2-cyanophenyl)methanesulfonic Acid
The XLogP value of 0.94608 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-cyanophenyl)methanesulfonic Acid. The TPSA of 78.16 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-cyanophenyl)methanesulfonic Acid. Following Lipinski's Rule of Five, (2-cyanophenyl)methanesulfonic 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 (2-cyanophenyl)methanesulfonic Acid?
The CAS number of (2-cyanophenyl)methanesulfonic Acid is 764629-58-5.
What is the molecular formula of (2-cyanophenyl)methanesulfonic Acid?
The molecular formula of (2-cyanophenyl)methanesulfonic Acid is C8H7NO3S.
What is the molecular weight of (2-cyanophenyl)methanesulfonic Acid?
The molecular weight of (2-cyanophenyl)methanesulfonic Acid is 197.01 g/mol.
Where can I buy (2-cyanophenyl)methanesulfonic Acid?
You can request a quote for (2-cyanophenyl)methanesulfonic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-cyanophenyl)methanesulfonic Acid?
Yes, KEHONG BIO provides custom synthesis services for (2-cyanophenyl)methanesulfonic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.