2-(4-Methoxybenzenesulfonyl)acetonitrile
TL;DR: 2-(4-Methoxybenzenesulfonyl)acetonitrile (CAS 132276-87-0) is a chemical compound with molecular formula C9H9NO3S and molecular weight 211.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methoxyphenyl)sulfonylacetonitrile
Also Known As: 2-(4-methoxybenzenesulfonyl)acetonitrile, 2-((4-Methoxyphenyl)sulfonyl)acetonitrile, 2-(4-methoxyphenyl)sulfonylacetonitrile, [(4-methoxyphenyl)sulfonyl]acetonitrile, (4-Methoxy-benzenesulfonyl)-acetonitrile
| Molecular Formula | C9H9NO3S |
|---|---|
| Molecular Weight | 211.03 g/mol |
| LogP | 0.99248 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 211.03032 |
| Heavy Atoms | 14 |
| Complexity | 441.94055 |
Chemical Identifiers
| CAS Number | 132276-87-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)S(=O)(=O)CC#N |
Product Overview
2-(4-Methoxybenzenesulfonyl)acetonitrile (CAS 132276-87-0), with molecular formula C9H9NO3S and molecular weight 211.03 g/mol. IUPAC: 2-(4-methoxyphenyl)sulfonylacetonitrile.
Chemical Property Profile of 2-(4-Methoxybenzenesulfonyl)acetonitrile
Property Insights of 2-(4-Methoxybenzenesulfonyl)acetonitrile
The XLogP value of 0.99248 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Methoxybenzenesulfonyl)acetonitrile. The TPSA of 67.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Methoxybenzenesulfonyl)acetonitrile. Following Lipinski's Rule of Five, 2-(4-Methoxybenzenesulfonyl)acetonitrile has 0 hydrogen bond donor(s) and 4 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-(4-Methoxybenzenesulfonyl)acetonitrile?
The CAS number of 2-(4-Methoxybenzenesulfonyl)acetonitrile is 132276-87-0.
What is the molecular formula of 2-(4-Methoxybenzenesulfonyl)acetonitrile?
The molecular formula of 2-(4-Methoxybenzenesulfonyl)acetonitrile is C9H9NO3S.
What is the molecular weight of 2-(4-Methoxybenzenesulfonyl)acetonitrile?
The molecular weight of 2-(4-Methoxybenzenesulfonyl)acetonitrile is 211.03 g/mol.
Where can I buy 2-(4-Methoxybenzenesulfonyl)acetonitrile?
You can request a quote for 2-(4-Methoxybenzenesulfonyl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Methoxybenzenesulfonyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methoxybenzenesulfonyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.