p-Bromophenyl propionate
TL;DR: p-Bromophenyl propionate (CAS 23600-77-3) 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.
(4-bromophenyl) propanoate
Also Known As: p-Bromophenyl propionate, 4-Bromophenyl Propanoate, (4-bromophenyl) propanoate, 4-bromophenyl propionate, 4-Bromophenylpropionate
| Molecular Formula | C9H9BrO2 |
|---|---|
| Molecular Weight | 227.98 g/mol |
| LogP | 2.8 |
| 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 | 151.0 |
Chemical Identifiers
| CAS Number | 23600-77-3 |
|---|---|
| SMILES | CCC(=O)OC1=CC=C(C=C1)Br |
| InChIKey | JPUYGYIPZTYGTI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Bromophenyl propionate (CAS 23600-77-3), with molecular formula C9H9BrO2 and molecular weight 227.98 g/mol. IUPAC: (4-bromophenyl) propanoate.
Chemical Property Profile of p-Bromophenyl propionate
Property Insights of p-Bromophenyl propionate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Bromophenyl propionate. With a topological polar surface area (TPSA) of 26.3 Ų, p-Bromophenyl propionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Bromophenyl propionate 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 p-Bromophenyl propionate?
The CAS number of p-Bromophenyl propionate is 23600-77-3.
What is the molecular formula of p-Bromophenyl propionate?
The molecular formula of p-Bromophenyl propionate is C9H9BrO2.
What is the molecular weight of p-Bromophenyl propionate?
The molecular weight of p-Bromophenyl propionate is 227.98 g/mol.
Where can I buy p-Bromophenyl propionate?
You can request a quote for p-Bromophenyl propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Bromophenyl propionate?
Yes, KEHONG BIO provides custom synthesis services for p-Bromophenyl propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.