3-(2-bromophenyl)-2-cyano-N-(2-methoxyethyl)prop-2-enamide
TL;DR: 3-(2-bromophenyl)-2-cyano-N-(2-methoxyethyl)prop-2-enamide (CAS 478016-76-1) is a chemical compound with molecular formula C13H13BrN2O2 and molecular weight 308.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(2-bromophenyl)-2-cyano-N-(2-methoxyethyl)prop-2-enamide
Also Known As: 3-(2-bromophenyl)-2-cyano-N-(2-methoxyethyl)prop-2-enamide, (E)-3-(2-bromophenyl)-2-cyano-N-(2-methoxyethyl)prop-2-enamide
| Molecular Formula | C13H13BrN2O2 |
|---|---|
| Molecular Weight | 308.02 g/mol |
| LogP | 2.11868 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.01605 |
| Heavy Atoms | 18 |
| Complexity | 492.00977 |
Chemical Identifiers
| CAS Number | 478016-76-1 |
|---|---|
| SMILES | COCCNC(=O)/C(=C/C1=CC=CC=C1Br)/C#N |
Product Overview
3-(2-bromophenyl)-2-cyano-N-(2-methoxyethyl)prop-2-enamide (CAS 478016-76-1), with molecular formula C13H13BrN2O2 and molecular weight 308.02 g/mol. IUPAC: (E)-3-(2-bromophenyl)-2-cyano-N-(2-methoxyethyl)prop-2-enamide.
Chemical Property Profile of 3-(2-bromophenyl)-2-cyano-N-(2-methoxyethyl)prop-2-enamide
Property Insights of 3-(2-bromophenyl)-2-cyano-N-(2-methoxyethyl)prop-2-enamide
The XLogP value of 2.11868 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-bromophenyl)-2-cyano-N-(2-methoxyethyl)prop-2-enamide. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-bromophenyl)-2-cyano-N-(2-methoxyethyl)prop-2-enamide. Following Lipinski's Rule of Five, 3-(2-bromophenyl)-2-cyano-N-(2-methoxyethyl)prop-2-enamide has 1 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-(2-bromophenyl)-2-cyano-N-(2-methoxyethyl)prop-2-enamide?
The CAS number of 3-(2-bromophenyl)-2-cyano-N-(2-methoxyethyl)prop-2-enamide is 478016-76-1.
What is the molecular formula of 3-(2-bromophenyl)-2-cyano-N-(2-methoxyethyl)prop-2-enamide?
The molecular formula of 3-(2-bromophenyl)-2-cyano-N-(2-methoxyethyl)prop-2-enamide is C13H13BrN2O2.
What is the molecular weight of 3-(2-bromophenyl)-2-cyano-N-(2-methoxyethyl)prop-2-enamide?
The molecular weight of 3-(2-bromophenyl)-2-cyano-N-(2-methoxyethyl)prop-2-enamide is 308.02 g/mol.
Where can I buy 3-(2-bromophenyl)-2-cyano-N-(2-methoxyethyl)prop-2-enamide?
You can request a quote for 3-(2-bromophenyl)-2-cyano-N-(2-methoxyethyl)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-(2-bromophenyl)-2-cyano-N-(2-methoxyethyl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-bromophenyl)-2-cyano-N-(2-methoxyethyl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.