3-(4-bromothiophen-2-yl)-2-cyano-N-(2-methoxyphenyl)prop-2-enamide
TL;DR: 3-(4-bromothiophen-2-yl)-2-cyano-N-(2-methoxyphenyl)prop-2-enamide (CAS 847744-71-2) is a chemical compound with molecular formula C15H11BrN2O2S and molecular weight 361.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-bromothiophen-2-yl)-2-cyano-N-(2-methoxyphenyl)prop-2-enamide
Also Known As: 3-(4-bromothiophen-2-yl)-2-cyano-N-(2-methoxyphenyl)prop-2-enamide
| Molecular Formula | C15H11BrN2O2S |
|---|---|
| Molecular Weight | 361.97 g/mol |
| LogP | 4.06488 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 361.97247 |
| Heavy Atoms | 21 |
| Complexity | 731.27 |
Chemical Identifiers
| CAS Number | 847744-71-2 |
|---|---|
| SMILES | COC1=CC=CC=C1NC(=O)C(=CC2=CC(=CS2)Br)C#N |
Product Overview
3-(4-bromothiophen-2-yl)-2-cyano-N-(2-methoxyphenyl)prop-2-enamide (CAS 847744-71-2), with molecular formula C15H11BrN2O2S and molecular weight 361.97 g/mol. IUPAC: 3-(4-bromothiophen-2-yl)-2-cyano-N-(2-methoxyphenyl)prop-2-enamide.
Chemical Property Profile of 3-(4-bromothiophen-2-yl)-2-cyano-N-(2-methoxyphenyl)prop-2-enamide
Property Insights of 3-(4-bromothiophen-2-yl)-2-cyano-N-(2-methoxyphenyl)prop-2-enamide
The XLogP value of 4.06488 indicates that 3-(4-bromothiophen-2-yl)-2-cyano-N-(2-methoxyphenyl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-bromothiophen-2-yl)-2-cyano-N-(2-methoxyphenyl)prop-2-enamide. Following Lipinski's Rule of Five, 3-(4-bromothiophen-2-yl)-2-cyano-N-(2-methoxyphenyl)prop-2-enamide has 1 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-(4-bromothiophen-2-yl)-2-cyano-N-(2-methoxyphenyl)prop-2-enamide?
The CAS number of 3-(4-bromothiophen-2-yl)-2-cyano-N-(2-methoxyphenyl)prop-2-enamide is 847744-71-2.
What is the molecular formula of 3-(4-bromothiophen-2-yl)-2-cyano-N-(2-methoxyphenyl)prop-2-enamide?
The molecular formula of 3-(4-bromothiophen-2-yl)-2-cyano-N-(2-methoxyphenyl)prop-2-enamide is C15H11BrN2O2S.
What is the molecular weight of 3-(4-bromothiophen-2-yl)-2-cyano-N-(2-methoxyphenyl)prop-2-enamide?
The molecular weight of 3-(4-bromothiophen-2-yl)-2-cyano-N-(2-methoxyphenyl)prop-2-enamide is 361.97 g/mol.
Where can I buy 3-(4-bromothiophen-2-yl)-2-cyano-N-(2-methoxyphenyl)prop-2-enamide?
You can request a quote for 3-(4-bromothiophen-2-yl)-2-cyano-N-(2-methoxyphenyl)prop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-bromothiophen-2-yl)-2-cyano-N-(2-methoxyphenyl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-bromothiophen-2-yl)-2-cyano-N-(2-methoxyphenyl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.