3-(4-Amino-benzenesulfonyl)-propionitrile
TL;DR: 3-(4-Amino-benzenesulfonyl)-propionitrile (CAS 84362-27-6) is a chemical compound with molecular formula C9H10N2O2S and molecular weight 210.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-aminophenyl)sulfonylpropanenitrile
Also Known As: 3-(4-Amino-benzenesulfonyl)-propionitrile, 3-(4-aminophenyl)sulfonylpropanenitrile, TimTec1_006941, 3-((4-Aminophenyl)sulfonyl)propanenitrile, 3-(4-Aminobenzenesulfonyl)propionitrile
| Molecular Formula | C9H10N2O2S |
|---|---|
| Molecular Weight | 210.05 g/mol |
| LogP | 0.95618 |
| Topological Polar Surface Area | 83.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 210.0463 |
| Heavy Atoms | 14 |
| Complexity | 442.69547 |
Chemical Identifiers
| CAS Number | 84362-27-6 |
|---|---|
| SMILES | C1=CC(=CC=C1N)S(=O)(=O)CCC#N |
Product Overview
3-(4-Amino-benzenesulfonyl)-propionitrile (CAS 84362-27-6), with molecular formula C9H10N2O2S and molecular weight 210.05 g/mol. IUPAC: 3-(4-aminophenyl)sulfonylpropanenitrile.
Chemical Property Profile of 3-(4-Amino-benzenesulfonyl)-propionitrile
Property Insights of 3-(4-Amino-benzenesulfonyl)-propionitrile
The XLogP value of 0.95618 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Amino-benzenesulfonyl)-propionitrile. The TPSA of 83.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Amino-benzenesulfonyl)-propionitrile. Following Lipinski's Rule of Five, 3-(4-Amino-benzenesulfonyl)-propionitrile has 1 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 3-(4-Amino-benzenesulfonyl)-propionitrile?
The CAS number of 3-(4-Amino-benzenesulfonyl)-propionitrile is 84362-27-6.
What is the molecular formula of 3-(4-Amino-benzenesulfonyl)-propionitrile?
The molecular formula of 3-(4-Amino-benzenesulfonyl)-propionitrile is C9H10N2O2S.
What is the molecular weight of 3-(4-Amino-benzenesulfonyl)-propionitrile?
The molecular weight of 3-(4-Amino-benzenesulfonyl)-propionitrile is 210.05 g/mol.
Where can I buy 3-(4-Amino-benzenesulfonyl)-propionitrile?
You can request a quote for 3-(4-Amino-benzenesulfonyl)-propionitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Amino-benzenesulfonyl)-propionitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Amino-benzenesulfonyl)-propionitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.