(Z)-3-bromo-2-ethylsulfanyl-3-(4-methoxyphenyl)prop-2-enenitrile
TL;DR: (Z)-3-bromo-2-ethylsulfanyl-3-(4-methoxyphenyl)prop-2-enenitrile (CAS 70360-28-0) is a chemical compound with molecular formula C12H12BrNOS and molecular weight 296.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-bromo-2-ethylsulfanyl-3-(4-methoxyphenyl)prop-2-enenitrile
Also Known As: J1.974.679H, 3-bromo-2-ethylsulfanyl-3-(4-methoxyphenyl)prop-2-enenitrile, 3-Bromo-2-(ethylthio)-3-(4-methoxyphenyl)propenenitrile, alpha-(Ethylthio)-beta-bromo-4-methoxybenzeneacrylonitrile, 2-Propenenitrile,3-bromo-2-(ethylthio)-3-(4-methoxyphenyl)-,(Z)
| Molecular Formula | C12H12BrNOS |
|---|---|
| Molecular Weight | 296.98 g/mol |
| LogP | 4.03538 |
| Topological Polar Surface Area | 33.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.9823 |
| Heavy Atoms | 16 |
| Complexity | 419.64005 |
Chemical Identifiers
| CAS Number | 70360-28-0 |
|---|---|
| SMILES | CCS/C(=C(/C1=CC=C(C=C1)OC)\Br)/C#N |
Product Overview
(Z)-3-bromo-2-ethylsulfanyl-3-(4-methoxyphenyl)prop-2-enenitrile (CAS 70360-28-0), with molecular formula C12H12BrNOS and molecular weight 296.98 g/mol. IUPAC: (Z)-3-bromo-2-ethylsulfanyl-3-(4-methoxyphenyl)prop-2-enenitrile.
Chemical Property Profile of (Z)-3-bromo-2-ethylsulfanyl-3-(4-methoxyphenyl)prop-2-enenitrile
Property Insights of (Z)-3-bromo-2-ethylsulfanyl-3-(4-methoxyphenyl)prop-2-enenitrile
The XLogP value of 4.03538 indicates that (Z)-3-bromo-2-ethylsulfanyl-3-(4-methoxyphenyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.02 Ų, (Z)-3-bromo-2-ethylsulfanyl-3-(4-methoxyphenyl)prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-3-bromo-2-ethylsulfanyl-3-(4-methoxyphenyl)prop-2-enenitrile 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 (Z)-3-bromo-2-ethylsulfanyl-3-(4-methoxyphenyl)prop-2-enenitrile?
The CAS number of (Z)-3-bromo-2-ethylsulfanyl-3-(4-methoxyphenyl)prop-2-enenitrile is 70360-28-0.
What is the molecular formula of (Z)-3-bromo-2-ethylsulfanyl-3-(4-methoxyphenyl)prop-2-enenitrile?
The molecular formula of (Z)-3-bromo-2-ethylsulfanyl-3-(4-methoxyphenyl)prop-2-enenitrile is C12H12BrNOS.
What is the molecular weight of (Z)-3-bromo-2-ethylsulfanyl-3-(4-methoxyphenyl)prop-2-enenitrile?
The molecular weight of (Z)-3-bromo-2-ethylsulfanyl-3-(4-methoxyphenyl)prop-2-enenitrile is 296.98 g/mol.
Where can I buy (Z)-3-bromo-2-ethylsulfanyl-3-(4-methoxyphenyl)prop-2-enenitrile?
You can request a quote for (Z)-3-bromo-2-ethylsulfanyl-3-(4-methoxyphenyl)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 (Z)-3-bromo-2-ethylsulfanyl-3-(4-methoxyphenyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-bromo-2-ethylsulfanyl-3-(4-methoxyphenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.