Methyl 2-bromo-2-(4-cyanophenyl)acetate
TL;DR: Methyl 2-bromo-2-(4-cyanophenyl)acetate (CAS 885953-33-3) is a chemical compound with molecular formula C10H8BrNO2 and molecular weight 252.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-bromo-2-(4-cyanophenyl)acetate
Also Known As: Methyl 2-bromo-2-(4-cyanophenyl)acetate, Methyl 2-bromo-2-(4'-cyanophenyl)acetate, Methyl2-bromo-2-(4-cyanophenyl)acetate, bromo-(4-cyano-phenyl)-acetic acid methyl ester, 871-393-1
| Molecular Formula | C10H8BrNO2 |
|---|---|
| Molecular Weight | 252.97 g/mol |
| LogP | 2.16728 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.97385 |
| Heavy Atoms | 14 |
| Complexity | 366.70355 |
Chemical Identifiers
| CAS Number | 885953-33-3 |
|---|---|
| SMILES | COC(=O)C(C1=CC=C(C=C1)C#N)Br |
Product Overview
Methyl 2-bromo-2-(4-cyanophenyl)acetate (CAS 885953-33-3), with molecular formula C10H8BrNO2 and molecular weight 252.97 g/mol. IUPAC: methyl 2-bromo-2-(4-cyanophenyl)acetate.
Chemical Property Profile of Methyl 2-bromo-2-(4-cyanophenyl)acetate
Property Insights of Methyl 2-bromo-2-(4-cyanophenyl)acetate
The XLogP value of 2.16728 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-bromo-2-(4-cyanophenyl)acetate. With a topological polar surface area (TPSA) of 50.09 Ų, Methyl 2-bromo-2-(4-cyanophenyl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-bromo-2-(4-cyanophenyl)acetate 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-bromo-2-(4-cyanophenyl)acetate?
The CAS number of Methyl 2-bromo-2-(4-cyanophenyl)acetate is 885953-33-3.
What is the molecular formula of Methyl 2-bromo-2-(4-cyanophenyl)acetate?
The molecular formula of Methyl 2-bromo-2-(4-cyanophenyl)acetate is C10H8BrNO2.
What is the molecular weight of Methyl 2-bromo-2-(4-cyanophenyl)acetate?
The molecular weight of Methyl 2-bromo-2-(4-cyanophenyl)acetate is 252.97 g/mol.
Where can I buy Methyl 2-bromo-2-(4-cyanophenyl)acetate?
You can request a quote for Methyl 2-bromo-2-(4-cyanophenyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-bromo-2-(4-cyanophenyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-bromo-2-(4-cyanophenyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.