3-Bromo-2-ethylsulfanyl-3-(4-methoxyphenyl)prop-2-enenitrile
TL;DR: 3-Bromo-2-ethylsulfanyl-3-(4-methoxyphenyl)prop-2-enenitrile (CAS 70360-62-2) 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.
3-bromo-2-ethylsulfanyl-3-(4-methoxyphenyl)prop-2-enenitrile
Also Known As: 3-bromo-2-ethylsulfanyl-3-(4-methoxyphenyl)prop-2-enenitrile, 2-Propenenitrile, 3-bromo-2-(ethylthio)-3-(4-methoxyphenyl)-, (E)-, 2-Propenenitrile, 3-bromo-2-(ethylthio)-3-(4-methoxyphenyl)-, (Z)-
| Molecular Formula | C12H12BrNOS |
|---|---|
| Molecular Weight | 296.98 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 58.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.9823 |
| Heavy Atoms | 16 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 70360-62-2 |
|---|---|
| SMILES | CCSC(=C(C1=CC=C(C=C1)OC)Br)C#N |
| InChIKey | KBLKOCFMULMFET-UHFFFAOYSA-N |
Product Overview
3-Bromo-2-ethylsulfanyl-3-(4-methoxyphenyl)prop-2-enenitrile (CAS 70360-62-2), with molecular formula C12H12BrNOS and molecular weight 296.98 g/mol. IUPAC: 3-bromo-2-ethylsulfanyl-3-(4-methoxyphenyl)prop-2-enenitrile.
Chemical Property Profile of 3-Bromo-2-ethylsulfanyl-3-(4-methoxyphenyl)prop-2-enenitrile
Property Insights of 3-Bromo-2-ethylsulfanyl-3-(4-methoxyphenyl)prop-2-enenitrile
The XLogP value of 3.6 indicates that 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 58.3 Ų, 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, 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 3-Bromo-2-ethylsulfanyl-3-(4-methoxyphenyl)prop-2-enenitrile?
The CAS number of 3-Bromo-2-ethylsulfanyl-3-(4-methoxyphenyl)prop-2-enenitrile is 70360-62-2.
What is the molecular formula of 3-Bromo-2-ethylsulfanyl-3-(4-methoxyphenyl)prop-2-enenitrile?
The molecular formula of 3-Bromo-2-ethylsulfanyl-3-(4-methoxyphenyl)prop-2-enenitrile is C12H12BrNOS.
What is the molecular weight of 3-Bromo-2-ethylsulfanyl-3-(4-methoxyphenyl)prop-2-enenitrile?
The molecular weight of 3-Bromo-2-ethylsulfanyl-3-(4-methoxyphenyl)prop-2-enenitrile is 296.98 g/mol.
Where can I buy 3-Bromo-2-ethylsulfanyl-3-(4-methoxyphenyl)prop-2-enenitrile?
You can request a quote for 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 3-Bromo-2-ethylsulfanyl-3-(4-methoxyphenyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-2-ethylsulfanyl-3-(4-methoxyphenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.