2-Bromoethyl 4-chlorobenzoate
TL;DR: 2-Bromoethyl 4-chlorobenzoate (CAS 27796-54-9) is a chemical compound with molecular formula C9H8BrClO2 and molecular weight 261.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromoethyl 4-chlorobenzoate
Also Known As: 2-bromoethyl 4-chlorobenzoate
| Molecular Formula | C9H8BrClO2 |
|---|---|
| Molecular Weight | 261.94 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.9396 |
| Heavy Atoms | 13 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 27796-54-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)OCCBr)Cl |
| InChIKey | KRMRWJMTGFVLBV-UHFFFAOYSA-N |
Product Overview
2-Bromoethyl 4-chlorobenzoate (CAS 27796-54-9), with molecular formula C9H8BrClO2 and molecular weight 261.94 g/mol. IUPAC: 2-bromoethyl 4-chlorobenzoate.
Chemical Property Profile of 2-Bromoethyl 4-chlorobenzoate
Property Insights of 2-Bromoethyl 4-chlorobenzoate
The XLogP value of 3.4 indicates that 2-Bromoethyl 4-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Bromoethyl 4-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromoethyl 4-chlorobenzoate 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 2-Bromoethyl 4-chlorobenzoate?
The CAS number of 2-Bromoethyl 4-chlorobenzoate is 27796-54-9.
What is the molecular formula of 2-Bromoethyl 4-chlorobenzoate?
The molecular formula of 2-Bromoethyl 4-chlorobenzoate is C9H8BrClO2.
What is the molecular weight of 2-Bromoethyl 4-chlorobenzoate?
The molecular weight of 2-Bromoethyl 4-chlorobenzoate is 261.94 g/mol.
Where can I buy 2-Bromoethyl 4-chlorobenzoate?
You can request a quote for 2-Bromoethyl 4-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromoethyl 4-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromoethyl 4-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.