Methyl 2-(2-bromo-2-cyanoethyl)benzoate
TL;DR: Methyl 2-(2-bromo-2-cyanoethyl)benzoate (CAS 634170-30-2) is a chemical compound with molecular formula C11H10BrNO2 and molecular weight 266.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2-bromo-2-cyanoethyl)benzoate
Also Known As: methyl 2-(2-bromo-2-cyanoethyl)benzoate, 2-(2-Bromo-2-cyano-ethyl)-benzoic acid methyl ester, A3213/0136291
| Molecular Formula | C11H10BrNO2 |
|---|---|
| Molecular Weight | 266.99 g/mol |
| LogP | 2.30278 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.9895 |
| Heavy Atoms | 15 |
| Complexity | 397.81955 |
Chemical Identifiers
| CAS Number | 634170-30-2 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1CC(C#N)Br |
Product Overview
Methyl 2-(2-bromo-2-cyanoethyl)benzoate (CAS 634170-30-2), with molecular formula C11H10BrNO2 and molecular weight 266.99 g/mol. IUPAC: methyl 2-(2-bromo-2-cyanoethyl)benzoate.
Chemical Property Profile of Methyl 2-(2-bromo-2-cyanoethyl)benzoate
Property Insights of Methyl 2-(2-bromo-2-cyanoethyl)benzoate
The XLogP value of 2.30278 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(2-bromo-2-cyanoethyl)benzoate. With a topological polar surface area (TPSA) of 50.09 Ų, Methyl 2-(2-bromo-2-cyanoethyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(2-bromo-2-cyanoethyl)benzoate 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 2-(2-bromo-2-cyanoethyl)benzoate?
The CAS number of Methyl 2-(2-bromo-2-cyanoethyl)benzoate is 634170-30-2.
What is the molecular formula of Methyl 2-(2-bromo-2-cyanoethyl)benzoate?
The molecular formula of Methyl 2-(2-bromo-2-cyanoethyl)benzoate is C11H10BrNO2.
What is the molecular weight of Methyl 2-(2-bromo-2-cyanoethyl)benzoate?
The molecular weight of Methyl 2-(2-bromo-2-cyanoethyl)benzoate is 266.99 g/mol.
Where can I buy Methyl 2-(2-bromo-2-cyanoethyl)benzoate?
You can request a quote for Methyl 2-(2-bromo-2-cyanoethyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(2-bromo-2-cyanoethyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(2-bromo-2-cyanoethyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.