3-(2-Methoxyphenyl)prop-2-ynoic acid
TL;DR: 3-(2-Methoxyphenyl)prop-2-ynoic acid (CAS 7342-00-9) is a chemical compound with molecular formula C10H8O3 and molecular weight 176.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methoxyphenyl)prop-2-ynoic acid
Also Known As: 3-(2-methoxyphenyl)prop-2-ynoic acid, 3-(2-Methoxyphenyl)propiolic Acid, 2-Methoxybenzenepropyneoic acid, (2-Methoxyphenyl)propiolic acid, (2-Methoxy-phenyl)-propynoic acid
| Molecular Formula | C10H8O3 |
|---|---|
| Molecular Weight | 176.05 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 176.04735 |
| Heavy Atoms | 13 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 7342-00-9 |
|---|---|
| SMILES | COC1=CC=CC=C1C#CC(=O)O |
| InChIKey | QKSIYZHWPUPDHJ-UHFFFAOYSA-N |
Product Overview
3-(2-Methoxyphenyl)prop-2-ynoic acid (CAS 7342-00-9), with molecular formula C10H8O3 and molecular weight 176.05 g/mol. IUPAC: 3-(2-methoxyphenyl)prop-2-ynoic acid.
Chemical Property Profile of 3-(2-Methoxyphenyl)prop-2-ynoic acid
Property Insights of 3-(2-Methoxyphenyl)prop-2-ynoic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Methoxyphenyl)prop-2-ynoic acid. With a topological polar surface area (TPSA) of 46.5 Ų, 3-(2-Methoxyphenyl)prop-2-ynoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Methoxyphenyl)prop-2-ynoic acid has 1 hydrogen bond donor(s) and 3 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-(2-Methoxyphenyl)prop-2-ynoic acid?
The CAS number of 3-(2-Methoxyphenyl)prop-2-ynoic acid is 7342-00-9.
What is the molecular formula of 3-(2-Methoxyphenyl)prop-2-ynoic acid?
The molecular formula of 3-(2-Methoxyphenyl)prop-2-ynoic acid is C10H8O3.
What is the molecular weight of 3-(2-Methoxyphenyl)prop-2-ynoic acid?
The molecular weight of 3-(2-Methoxyphenyl)prop-2-ynoic acid is 176.05 g/mol.
Where can I buy 3-(2-Methoxyphenyl)prop-2-ynoic acid?
You can request a quote for 3-(2-Methoxyphenyl)prop-2-ynoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Methoxyphenyl)prop-2-ynoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Methoxyphenyl)prop-2-ynoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.