Phenol, 2-bromo-, 1-propanoate
TL;DR: Phenol, 2-bromo-, 1-propanoate (CAS 23600-76-2) is a chemical compound with molecular formula C9H9BrO2 and molecular weight 227.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-bromophenyl) propanoate
Also Known As: o-Bromophenyl propionate, (2-bromophenyl) propanoate, Phenol, propionate, 2-Bromophenyl propionate, o-Bromo-phenyl propionate
| Molecular Formula | C9H9BrO2 |
|---|---|
| Molecular Weight | 227.98 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 227.97859 |
| Heavy Atoms | 12 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 23600-76-2 |
|---|---|
| SMILES | CCC(=O)OC1=CC=CC=C1Br |
| InChIKey | CQOJLROYGSGCQQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenol, 2-bromo-, 1-propanoate (CAS 23600-76-2), with molecular formula C9H9BrO2 and molecular weight 227.98 g/mol. IUPAC: (2-bromophenyl) propanoate.
Chemical Property Profile of Phenol, 2-bromo-, 1-propanoate
Property Insights of Phenol, 2-bromo-, 1-propanoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenol, 2-bromo-, 1-propanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Phenol, 2-bromo-, 1-propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, 2-bromo-, 1-propanoate 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 Phenol, 2-bromo-, 1-propanoate?
The CAS number of Phenol, 2-bromo-, 1-propanoate is 23600-76-2.
What is the molecular formula of Phenol, 2-bromo-, 1-propanoate?
The molecular formula of Phenol, 2-bromo-, 1-propanoate is C9H9BrO2.
What is the molecular weight of Phenol, 2-bromo-, 1-propanoate?
The molecular weight of Phenol, 2-bromo-, 1-propanoate is 227.98 g/mol.
Where can I buy Phenol, 2-bromo-, 1-propanoate?
You can request a quote for Phenol, 2-bromo-, 1-propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 2-bromo-, 1-propanoate?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 2-bromo-, 1-propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.