Methyl 3-(4-bromophenyl)-2-cyanoprop-2-enoate
TL;DR: Methyl 3-(4-bromophenyl)-2-cyanoprop-2-enoate (CAS 167995-88-2) is a chemical compound with molecular formula C11H8BrNO2 and molecular weight 264.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(4-bromophenyl)-2-cyanoprop-2-enoate
Also Known As: methyl 3-(4-bromophenyl)-2-cyanoprop-2-enoate, 2-Propenoic acid, 3-(4-bromophenyl)-2-cyano-, methyl ester, methyl 3-(4-bromophenyl)-2-cyano-prop-2-enoate, Methyl 3-(4-bromophenyl)-2-nitrileprop-2-enoate, methyl (2Z)-3-(4-bromophenyl)-2-cyanoprop-2-enoate
| Molecular Formula | C11H8BrNO2 |
|---|---|
| Molecular Weight | 264.97 g/mol |
| LogP | 2.52908 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 264.97385 |
| Heavy Atoms | 15 |
| Complexity | 428.8963 |
Chemical Identifiers
| CAS Number | 167995-88-2 |
|---|---|
| SMILES | COC(=O)C(=CC1=CC=C(C=C1)Br)C#N |
Product Overview
Methyl 3-(4-bromophenyl)-2-cyanoprop-2-enoate (CAS 167995-88-2), with molecular formula C11H8BrNO2 and molecular weight 264.97 g/mol. IUPAC: methyl 3-(4-bromophenyl)-2-cyanoprop-2-enoate.
Chemical Property Profile of Methyl 3-(4-bromophenyl)-2-cyanoprop-2-enoate
Property Insights of Methyl 3-(4-bromophenyl)-2-cyanoprop-2-enoate
The XLogP value of 2.52908 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(4-bromophenyl)-2-cyanoprop-2-enoate. With a topological polar surface area (TPSA) of 50.09 Ų, Methyl 3-(4-bromophenyl)-2-cyanoprop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(4-bromophenyl)-2-cyanoprop-2-enoate 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 Methyl 3-(4-bromophenyl)-2-cyanoprop-2-enoate?
The CAS number of Methyl 3-(4-bromophenyl)-2-cyanoprop-2-enoate is 167995-88-2.
What is the molecular formula of Methyl 3-(4-bromophenyl)-2-cyanoprop-2-enoate?
The molecular formula of Methyl 3-(4-bromophenyl)-2-cyanoprop-2-enoate is C11H8BrNO2.
What is the molecular weight of Methyl 3-(4-bromophenyl)-2-cyanoprop-2-enoate?
The molecular weight of Methyl 3-(4-bromophenyl)-2-cyanoprop-2-enoate is 264.97 g/mol.
Where can I buy Methyl 3-(4-bromophenyl)-2-cyanoprop-2-enoate?
You can request a quote for Methyl 3-(4-bromophenyl)-2-cyanoprop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(4-bromophenyl)-2-cyanoprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(4-bromophenyl)-2-cyanoprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.