![2-(4-Bromophenyl)sulfonyl-3-[4-(cyanomethyl)anilino]prop-2-enenitrile structure](/static/products/1025/1025311-78-7.webp)
2-(4-Bromophenyl)sulfonyl-3-[4-(cyanomethyl)anilino]prop-2-enenitrile
TL;DR: 2-(4-Bromophenyl)sulfonyl-3-[4-(cyanomethyl)anilino]prop-2-enenitrile (CAS 1025311-78-7) is a chemical compound with molecular formula C17H12BrN3O2S and molecular weight 400.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromophenyl)sulfonyl-3-[4-(cyanomethyl)anilino]prop-2-enenitrile
Also Known As: 2-((4-BROMOPHENYL)SULFONYL)-3-((4-(CYANOMETHYL)PHENYL)AMINO)PROP-2-ENENITRILE, 2-(4-bromophenyl)sulfonyl-3-[4-(cyanomethyl)anilino]prop-2-enenitrile, 2-(4-bromophenyl)sulfonyl-3-[[4-(cyanomethyl)phenyl]amino]prop-2-enenitrile, C17H12BrN3O2S
| Molecular Formula | C17H12BrN3O2S |
|---|---|
| Molecular Weight | 400.98 g/mol |
| LogP | 3.76596 |
| Topological Polar Surface Area | 93.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.98337 |
| Heavy Atoms | 24 |
| Complexity | 935.31555 |
Chemical Identifiers
| CAS Number | 1025311-78-7 |
|---|---|
| SMILES | C1=CC(=CC=C1CC#N)NC=C(C#N)S(=O)(=O)C2=CC=C(C=C2)Br |
Product Overview
2-(4-Bromophenyl)sulfonyl-3-[4-(cyanomethyl)anilino]prop-2-enenitrile (CAS 1025311-78-7), with molecular formula C17H12BrN3O2S and molecular weight 400.98 g/mol. IUPAC: 2-(4-bromophenyl)sulfonyl-3-[4-(cyanomethyl)anilino]prop-2-enenitrile.
Chemical Property Profile of 2-(4-Bromophenyl)sulfonyl-3-[4-(cyanomethyl)anilino]prop-2-enenitrile
Property Insights of 2-(4-Bromophenyl)sulfonyl-3-[4-(cyanomethyl)anilino]prop-2-enenitrile
The XLogP value of 3.76596 indicates that 2-(4-Bromophenyl)sulfonyl-3-[4-(cyanomethyl)anilino]prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Bromophenyl)sulfonyl-3-[4-(cyanomethyl)anilino]prop-2-enenitrile. Following Lipinski's Rule of Five, 2-(4-Bromophenyl)sulfonyl-3-[4-(cyanomethyl)anilino]prop-2-enenitrile has 1 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 2-(4-Bromophenyl)sulfonyl-3-[4-(cyanomethyl)anilino]prop-2-enenitrile?
The CAS number of 2-(4-Bromophenyl)sulfonyl-3-[4-(cyanomethyl)anilino]prop-2-enenitrile is 1025311-78-7.
What is the molecular formula of 2-(4-Bromophenyl)sulfonyl-3-[4-(cyanomethyl)anilino]prop-2-enenitrile?
The molecular formula of 2-(4-Bromophenyl)sulfonyl-3-[4-(cyanomethyl)anilino]prop-2-enenitrile is C17H12BrN3O2S.
What is the molecular weight of 2-(4-Bromophenyl)sulfonyl-3-[4-(cyanomethyl)anilino]prop-2-enenitrile?
The molecular weight of 2-(4-Bromophenyl)sulfonyl-3-[4-(cyanomethyl)anilino]prop-2-enenitrile is 400.98 g/mol.
Where can I buy 2-(4-Bromophenyl)sulfonyl-3-[4-(cyanomethyl)anilino]prop-2-enenitrile?
You can request a quote for 2-(4-Bromophenyl)sulfonyl-3-[4-(cyanomethyl)anilino]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 2-(4-Bromophenyl)sulfonyl-3-[4-(cyanomethyl)anilino]prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromophenyl)sulfonyl-3-[4-(cyanomethyl)anilino]prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.