3-((4-Bromophenyl)sulfonyl)propanenitrile
TL;DR: 3-((4-Bromophenyl)sulfonyl)propanenitrile (CAS 14223-23-5) is a chemical compound with molecular formula C9H8BrNO2S and molecular weight 272.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-bromophenyl)sulfonylpropanenitrile
Also Known As: 3-(4-bromophenyl)sulfonylpropanenitrile, 3-((4-Bromophenyl)sulfonyl)propanenitrile, 3-[(4-BROMOPHENYL)SULFONYL]PROPANENITRILE, Propanenitrile, 3-[(4-bromophenyl)sulfonyl]-, 3-(4-Bromobenzene-1-sulfonyl)propanenitrile
| Molecular Formula | C9H8BrNO2S |
|---|---|
| Molecular Weight | 272.95 g/mol |
| LogP | 2.13648 |
| Topological Polar Surface Area | 57.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.94592 |
| Heavy Atoms | 14 |
| Complexity | 444.69547 |
Chemical Identifiers
| CAS Number | 14223-23-5 |
|---|---|
| SMILES | C1=CC(=CC=C1S(=O)(=O)CCC#N)Br |
Product Overview
3-((4-Bromophenyl)sulfonyl)propanenitrile (CAS 14223-23-5), with molecular formula C9H8BrNO2S and molecular weight 272.95 g/mol. IUPAC: 3-(4-bromophenyl)sulfonylpropanenitrile.
Chemical Property Profile of 3-((4-Bromophenyl)sulfonyl)propanenitrile
Property Insights of 3-((4-Bromophenyl)sulfonyl)propanenitrile
The XLogP value of 2.13648 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((4-Bromophenyl)sulfonyl)propanenitrile. With a topological polar surface area (TPSA) of 57.93 Ų, 3-((4-Bromophenyl)sulfonyl)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((4-Bromophenyl)sulfonyl)propanenitrile has 0 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 3-((4-Bromophenyl)sulfonyl)propanenitrile?
The CAS number of 3-((4-Bromophenyl)sulfonyl)propanenitrile is 14223-23-5.
What is the molecular formula of 3-((4-Bromophenyl)sulfonyl)propanenitrile?
The molecular formula of 3-((4-Bromophenyl)sulfonyl)propanenitrile is C9H8BrNO2S.
What is the molecular weight of 3-((4-Bromophenyl)sulfonyl)propanenitrile?
The molecular weight of 3-((4-Bromophenyl)sulfonyl)propanenitrile is 272.95 g/mol.
Where can I buy 3-((4-Bromophenyl)sulfonyl)propanenitrile?
You can request a quote for 3-((4-Bromophenyl)sulfonyl)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((4-Bromophenyl)sulfonyl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-((4-Bromophenyl)sulfonyl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.