Methyl 2-phenyl-4-pentynoate
TL;DR: Methyl 2-phenyl-4-pentynoate (CAS 91962-89-9) is a chemical compound with molecular formula C12H12O2 and molecular weight 188.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-phenylpent-4-ynoate
Also Known As: methyl 2-phenyl-4-pentynoate, Methyl 2-phenylpent-4-ynoate, 2-Phenyl-pent-4-ynoic acid methyl ester
| Molecular Formula | C12H12O2 |
|---|---|
| Molecular Weight | 188.08 g/mol |
| LogP | 1.9665 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 188.08372 |
| Heavy Atoms | 14 |
| Complexity | 335.08942 |
Chemical Identifiers
| CAS Number | 91962-89-9 |
|---|---|
| SMILES | COC(=O)C(CC#C)C1=CC=CC=C1 |
Product Overview
Methyl 2-phenyl-4-pentynoate (CAS 91962-89-9), with molecular formula C12H12O2 and molecular weight 188.08 g/mol. IUPAC: methyl 2-phenylpent-4-ynoate.
Chemical Property Profile of Methyl 2-phenyl-4-pentynoate
Property Insights of Methyl 2-phenyl-4-pentynoate
The XLogP value of 1.9665 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-phenyl-4-pentynoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 2-phenyl-4-pentynoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-phenyl-4-pentynoate 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 Methyl 2-phenyl-4-pentynoate?
The CAS number of Methyl 2-phenyl-4-pentynoate is 91962-89-9.
What is the molecular formula of Methyl 2-phenyl-4-pentynoate?
The molecular formula of Methyl 2-phenyl-4-pentynoate is C12H12O2.
What is the molecular weight of Methyl 2-phenyl-4-pentynoate?
The molecular weight of Methyl 2-phenyl-4-pentynoate is 188.08 g/mol.
Where can I buy Methyl 2-phenyl-4-pentynoate?
You can request a quote for Methyl 2-phenyl-4-pentynoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-phenyl-4-pentynoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-phenyl-4-pentynoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.