3-(3,4-Dihydroxyphenyl)-2-(phenylsulfonyl)acrylonitrile
TL;DR: 3-(3,4-Dihydroxyphenyl)-2-(phenylsulfonyl)acrylonitrile (CAS 186582-02-5) is a chemical compound with molecular formula C15H11NO4S and molecular weight 301.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(benzenesulfonyl)-3-(3,4-dihydroxyphenyl)prop-2-enenitrile
Also Known As: KSC-12-242E, 3-(3,4-dihydroxyphenyl)-2-(phenylsulfonyl)acrylonitrile, (E)-2-besyl-3-(3,4-dihydroxyphenyl)acrylonitrile, (2E)-3-(3,4-dihydroxyphenyl)-2-(phenylsulfonyl)prop-2-enenitrile, (E)-2-(benzenesulfonyl)-3-(3,4-dihydroxyphenyl)prop-2-enenitrile
| Molecular Formula | C15H11NO4S |
|---|---|
| Molecular Weight | 301.04 g/mol |
| LogP | 2.43618 |
| Topological Polar Surface Area | 98.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.0409 |
| Heavy Atoms | 21 |
| Complexity | 833.7225 |
Chemical Identifiers
| CAS Number | 186582-02-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)/C(=C/C2=CC(=C(C=C2)O)O)/C#N |
Product Overview
3-(3,4-Dihydroxyphenyl)-2-(phenylsulfonyl)acrylonitrile (CAS 186582-02-5), with molecular formula C15H11NO4S and molecular weight 301.04 g/mol. IUPAC: (E)-2-(benzenesulfonyl)-3-(3,4-dihydroxyphenyl)prop-2-enenitrile.
Chemical Property Profile of 3-(3,4-Dihydroxyphenyl)-2-(phenylsulfonyl)acrylonitrile
Property Insights of 3-(3,4-Dihydroxyphenyl)-2-(phenylsulfonyl)acrylonitrile
The XLogP value of 2.43618 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3,4-Dihydroxyphenyl)-2-(phenylsulfonyl)acrylonitrile. The TPSA of 98.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3,4-Dihydroxyphenyl)-2-(phenylsulfonyl)acrylonitrile. Following Lipinski's Rule of Five, 3-(3,4-Dihydroxyphenyl)-2-(phenylsulfonyl)acrylonitrile has 2 hydrogen bond donor(s) and 5 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-(3,4-Dihydroxyphenyl)-2-(phenylsulfonyl)acrylonitrile?
The CAS number of 3-(3,4-Dihydroxyphenyl)-2-(phenylsulfonyl)acrylonitrile is 186582-02-5.
What is the molecular formula of 3-(3,4-Dihydroxyphenyl)-2-(phenylsulfonyl)acrylonitrile?
The molecular formula of 3-(3,4-Dihydroxyphenyl)-2-(phenylsulfonyl)acrylonitrile is C15H11NO4S.
What is the molecular weight of 3-(3,4-Dihydroxyphenyl)-2-(phenylsulfonyl)acrylonitrile?
The molecular weight of 3-(3,4-Dihydroxyphenyl)-2-(phenylsulfonyl)acrylonitrile is 301.04 g/mol.
Where can I buy 3-(3,4-Dihydroxyphenyl)-2-(phenylsulfonyl)acrylonitrile?
You can request a quote for 3-(3,4-Dihydroxyphenyl)-2-(phenylsulfonyl)acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,4-Dihydroxyphenyl)-2-(phenylsulfonyl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-Dihydroxyphenyl)-2-(phenylsulfonyl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.