3-(5-Bromo-2-methoxyphenyl)-2-(phenylsulfonyl)prop-2-enenitrile
TL;DR: 3-(5-Bromo-2-methoxyphenyl)-2-(phenylsulfonyl)prop-2-enenitrile (CAS 891956-54-0) is a chemical compound with molecular formula C16H12BrNO3S and molecular weight 376.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzenesulfonyl)-3-(5-bromo-2-methoxyphenyl)prop-2-enenitrile
Also Known As: 3-(5-BROMO-2-METHOXYPHENYL)-2-(PHENYLSULFONYL)PROP-2-ENENITRILE, 2-(benzenesulfonyl)-3-(5-bromo-2-methoxyphenyl)prop-2-enenitrile, 2-(benzenesulfonyl)-3-(5-bromo-2-methoxy-phenyl)prop-2-enenitrile, (2Z)-2-(benzenesulfonyl)-3-(5-bromo-2-methoxyphenyl)prop-2-enenitrile
| Molecular Formula | C16H12BrNO3S |
|---|---|
| Molecular Weight | 376.97 g/mol |
| LogP | 3.79608 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 376.97214 |
| Heavy Atoms | 22 |
| Complexity | 852.70483 |
Chemical Identifiers
| CAS Number | 891956-54-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Br)C=C(C#N)S(=O)(=O)C2=CC=CC=C2 |
Product Overview
3-(5-Bromo-2-methoxyphenyl)-2-(phenylsulfonyl)prop-2-enenitrile (CAS 891956-54-0), with molecular formula C16H12BrNO3S and molecular weight 376.97 g/mol. IUPAC: 2-(benzenesulfonyl)-3-(5-bromo-2-methoxyphenyl)prop-2-enenitrile.
Chemical Property Profile of 3-(5-Bromo-2-methoxyphenyl)-2-(phenylsulfonyl)prop-2-enenitrile
Property Insights of 3-(5-Bromo-2-methoxyphenyl)-2-(phenylsulfonyl)prop-2-enenitrile
The XLogP value of 3.79608 indicates that 3-(5-Bromo-2-methoxyphenyl)-2-(phenylsulfonyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-Bromo-2-methoxyphenyl)-2-(phenylsulfonyl)prop-2-enenitrile. Following Lipinski's Rule of Five, 3-(5-Bromo-2-methoxyphenyl)-2-(phenylsulfonyl)prop-2-enenitrile 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 3-(5-Bromo-2-methoxyphenyl)-2-(phenylsulfonyl)prop-2-enenitrile?
The CAS number of 3-(5-Bromo-2-methoxyphenyl)-2-(phenylsulfonyl)prop-2-enenitrile is 891956-54-0.
What is the molecular formula of 3-(5-Bromo-2-methoxyphenyl)-2-(phenylsulfonyl)prop-2-enenitrile?
The molecular formula of 3-(5-Bromo-2-methoxyphenyl)-2-(phenylsulfonyl)prop-2-enenitrile is C16H12BrNO3S.
What is the molecular weight of 3-(5-Bromo-2-methoxyphenyl)-2-(phenylsulfonyl)prop-2-enenitrile?
The molecular weight of 3-(5-Bromo-2-methoxyphenyl)-2-(phenylsulfonyl)prop-2-enenitrile is 376.97 g/mol.
Where can I buy 3-(5-Bromo-2-methoxyphenyl)-2-(phenylsulfonyl)prop-2-enenitrile?
You can request a quote for 3-(5-Bromo-2-methoxyphenyl)-2-(phenylsulfonyl)prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(5-Bromo-2-methoxyphenyl)-2-(phenylsulfonyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-Bromo-2-methoxyphenyl)-2-(phenylsulfonyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.