Methyl 4-pentynoate
TL;DR: Methyl 4-pentynoate (CAS 21565-82-2) is a chemical compound with molecular formula C6H8O2 and molecular weight 112.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl pent-4-ynoate
Also Known As: methyl pent-4-ynoate, Methyl 4-pentynoate, 4-pentynoic acid methyl ester, 4-Pentynoic acid, methyl ester, methylpent-4-ynoate
| Molecular Formula | C6H8O2 |
|---|---|
| Molecular Weight | 112.05 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 112.05243 |
| Heavy Atoms | 8 |
| Complexity | 118.0 |
Chemical Identifiers
| CAS Number | 21565-82-2 |
|---|---|
| SMILES | COC(=O)CCC#C |
| InChIKey | WCSNOLUUFIWIHY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 4-pentynoate (CAS 21565-82-2), with molecular formula C6H8O2 and molecular weight 112.05 g/mol. IUPAC: methyl pent-4-ynoate.
Chemical Property Profile of Methyl 4-pentynoate
Property Insights of Methyl 4-pentynoate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-pentynoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 4-pentynoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 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 4-pentynoate?
The CAS number of Methyl 4-pentynoate is 21565-82-2.
What is the molecular formula of Methyl 4-pentynoate?
The molecular formula of Methyl 4-pentynoate is C6H8O2.
What is the molecular weight of Methyl 4-pentynoate?
The molecular weight of Methyl 4-pentynoate is 112.05 g/mol.
Where can I buy Methyl 4-pentynoate?
You can request a quote for Methyl 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 4-pentynoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-pentynoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.