Phenylpropynoic acid methyl ester
TL;DR: Phenylpropynoic acid methyl ester (CAS 4891-38-7) is a chemical compound with molecular formula C10H8O2 and molecular weight 160.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-phenylprop-2-ynoate
Also Known As: Methyl phenylpropiolate, Methyl 3-phenylpropiolate, methyl 3-phenylprop-2-ynoate, Methy phenylpropiolate, Methyl Phenylpropargylate
| Molecular Formula | C10H8O2 |
|---|---|
| Molecular Weight | 160.05 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 160.05243 |
| Heavy Atoms | 12 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 4891-38-7 |
|---|---|
| SMILES | COC(=O)C#CC1=CC=CC=C1 |
| InChIKey | JFGWPXKGINUNDH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenylpropynoic acid methyl ester (CAS 4891-38-7), with molecular formula C10H8O2 and molecular weight 160.05 g/mol. IUPAC: methyl 3-phenylprop-2-ynoate.
Chemical Property Profile of Phenylpropynoic acid methyl ester
Property Insights of Phenylpropynoic acid methyl ester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenylpropynoic acid methyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Phenylpropynoic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenylpropynoic acid methyl ester 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 Phenylpropynoic acid methyl ester?
The CAS number of Phenylpropynoic acid methyl ester is 4891-38-7.
What is the molecular formula of Phenylpropynoic acid methyl ester?
The molecular formula of Phenylpropynoic acid methyl ester is C10H8O2.
What is the molecular weight of Phenylpropynoic acid methyl ester?
The molecular weight of Phenylpropynoic acid methyl ester is 160.05 g/mol.
Where can I buy Phenylpropynoic acid methyl ester?
You can request a quote for Phenylpropynoic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenylpropynoic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phenylpropynoic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.