3-(4-Bromophenyl)propiolic acid
TL;DR: 3-(4-Bromophenyl)propiolic acid (CAS 25294-65-9) is a chemical compound with molecular formula C9H5BrO2 and molecular weight 223.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-bromophenyl)prop-2-ynoic acid
Also Known As: 3-(4-bromophenyl)prop-2-ynoic acid, 3-(4-Bromophenyl)propiolic Acid, 3-(4-bromophenyl)-2-propynoic acid, p-Bromphenylpropiolsaure, (4-Bromophenyl)propiolic acid
| Molecular Formula | C9H5BrO2 |
|---|---|
| Molecular Weight | 223.95 g/mol |
| LogP | 1.8852 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 223.9473 |
| Heavy Atoms | 12 |
| Complexity | 343.03156 |
Chemical Identifiers
| CAS Number | 25294-65-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C#CC(=O)O)Br |
Product Overview
3-(4-Bromophenyl)propiolic acid (CAS 25294-65-9), with molecular formula C9H5BrO2 and molecular weight 223.95 g/mol. IUPAC: 3-(4-bromophenyl)prop-2-ynoic acid.
Chemical Property Profile of 3-(4-Bromophenyl)propiolic acid
Property Insights of 3-(4-Bromophenyl)propiolic acid
The XLogP value of 1.8852 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Bromophenyl)propiolic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-(4-Bromophenyl)propiolic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Bromophenyl)propiolic acid has 1 hydrogen bond donor(s) and 1 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 3-(4-Bromophenyl)propiolic acid?
The CAS number of 3-(4-Bromophenyl)propiolic acid is 25294-65-9.
What is the molecular formula of 3-(4-Bromophenyl)propiolic acid?
The molecular formula of 3-(4-Bromophenyl)propiolic acid is C9H5BrO2.
What is the molecular weight of 3-(4-Bromophenyl)propiolic acid?
The molecular weight of 3-(4-Bromophenyl)propiolic acid is 223.95 g/mol.
Where can I buy 3-(4-Bromophenyl)propiolic acid?
You can request a quote for 3-(4-Bromophenyl)propiolic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Bromophenyl)propiolic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Bromophenyl)propiolic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.