Ethyl 4-(bromomethyl)benzoate
TL;DR: Ethyl 4-(bromomethyl)benzoate (CAS 80622-53-3) is a chemical compound with molecular formula C10H11BrO2 and molecular weight 241.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(bromomethyl)benzoate
Also Known As: Ethyl 4-(bromomethyl)benzoate, Ethyl 4-bromomethylbenzoate, zlchem 925, 4-(Bromomethyl)benzoic acid ethyl ester, Benzoic acid, 4-(bromomethyl)-, ethyl ester
| Molecular Formula | C10H11BrO2 |
|---|---|
| Molecular Weight | 241.99 g/mol |
| LogP | 2.7582 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 241.99425 |
| Heavy Atoms | 13 |
| Complexity | 279.48114 |
Chemical Identifiers
| CAS Number | 80622-53-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)CBr |
Product Overview
Ethyl 4-(bromomethyl)benzoate (CAS 80622-53-3), with molecular formula C10H11BrO2 and molecular weight 241.99 g/mol. IUPAC: ethyl 4-(bromomethyl)benzoate.
Chemical Property Profile of Ethyl 4-(bromomethyl)benzoate
Property Insights of Ethyl 4-(bromomethyl)benzoate
The XLogP value of 2.7582 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(bromomethyl)benzoate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 4-(bromomethyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-(bromomethyl)benzoate has 0 hydrogen bond donor(s) and 2 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 Ethyl 4-(bromomethyl)benzoate?
The CAS number of Ethyl 4-(bromomethyl)benzoate is 80622-53-3.
What is the molecular formula of Ethyl 4-(bromomethyl)benzoate?
The molecular formula of Ethyl 4-(bromomethyl)benzoate is C10H11BrO2.
What is the molecular weight of Ethyl 4-(bromomethyl)benzoate?
The molecular weight of Ethyl 4-(bromomethyl)benzoate is 241.99 g/mol.
Where can I buy Ethyl 4-(bromomethyl)benzoate?
You can request a quote for Ethyl 4-(bromomethyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(bromomethyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(bromomethyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.