Acrylic acid, 2-cyano-3-(2-bromophenyl)-, methyl ester
TL;DR: Acrylic acid, 2-cyano-3-(2-bromophenyl)-, methyl ester (CAS 196512-60-4) 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 (E)-3-(2-bromophenyl)-2-cyanoprop-2-enoate
Also Known As: Technetium Tc 99m tmpda, Methyl 2-cyano-3-(2-bromophenyl)acrylate, Methyl 2-cyano-3-(2-bromophenyl)-acrylate, Methyl 3-(2-bromophenyl)-2-cyano-2-propenoate, methyl 3-(2-bromophenyl)-2-cyanoprop-2-enoate
| Molecular Formula | C11H8BrNO2 |
|---|---|
| Molecular Weight | 264.97 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 264.97385 |
| Heavy Atoms | 15 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 196512-60-4 |
|---|---|
| SMILES | COC(=O)/C(=C/C1=CC=CC=C1Br)/C#N |
| InChIKey | SSKFRKHFQPOMDS-RMKNXTFCSA-N |
Product Overview
Acrylic acid, 2-cyano-3-(2-bromophenyl)-, methyl ester (CAS 196512-60-4), with molecular formula C11H8BrNO2 and molecular weight 264.97 g/mol. IUPAC: methyl (E)-3-(2-bromophenyl)-2-cyanoprop-2-enoate.
Chemical Property Profile of Acrylic acid, 2-cyano-3-(2-bromophenyl)-, methyl ester
Property Insights of Acrylic acid, 2-cyano-3-(2-bromophenyl)-, methyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acrylic acid, 2-cyano-3-(2-bromophenyl)-, methyl ester. With a topological polar surface area (TPSA) of 50.1 Ų, Acrylic acid, 2-cyano-3-(2-bromophenyl)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acrylic acid, 2-cyano-3-(2-bromophenyl)-, methyl ester 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 Acrylic acid, 2-cyano-3-(2-bromophenyl)-, methyl ester?
The CAS number of Acrylic acid, 2-cyano-3-(2-bromophenyl)-, methyl ester is 196512-60-4.
What is the molecular formula of Acrylic acid, 2-cyano-3-(2-bromophenyl)-, methyl ester?
The molecular formula of Acrylic acid, 2-cyano-3-(2-bromophenyl)-, methyl ester is C11H8BrNO2.
What is the molecular weight of Acrylic acid, 2-cyano-3-(2-bromophenyl)-, methyl ester?
The molecular weight of Acrylic acid, 2-cyano-3-(2-bromophenyl)-, methyl ester is 264.97 g/mol.
Where can I buy Acrylic acid, 2-cyano-3-(2-bromophenyl)-, methyl ester?
You can request a quote for Acrylic acid, 2-cyano-3-(2-bromophenyl)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acrylic acid, 2-cyano-3-(2-bromophenyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acrylic acid, 2-cyano-3-(2-bromophenyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.