Methyl 2-hexynoate
TL;DR: Methyl 2-hexynoate (CAS 18937-79-6) is a chemical compound with molecular formula C7H10O2 and molecular weight 126.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl hex-2-ynoate
Also Known As: Methyl 2-hexynoate, Methyl hex-2-ynoate, 2-Hexynoic acid, methyl ester, Methyl2-hexynoate, Cedarleaf oil
| Molecular Formula | C7H10O2 |
|---|---|
| Molecular Weight | 126.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 126.06808 |
| Heavy Atoms | 9 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 18937-79-6 |
|---|---|
| SMILES | CCCC#CC(=O)OC |
| InChIKey | DHZPZBFOJDXEHS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-hexynoate (CAS 18937-79-6), with molecular formula C7H10O2 and molecular weight 126.07 g/mol. IUPAC: methyl hex-2-ynoate.
Chemical Property Profile of Methyl 2-hexynoate
Property Insights of Methyl 2-hexynoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-hexynoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 2-hexynoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-hexynoate 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-hexynoate?
The CAS number of Methyl 2-hexynoate is 18937-79-6.
What is the molecular formula of Methyl 2-hexynoate?
The molecular formula of Methyl 2-hexynoate is C7H10O2.
What is the molecular weight of Methyl 2-hexynoate?
The molecular weight of Methyl 2-hexynoate is 126.07 g/mol.
Where can I buy Methyl 2-hexynoate?
You can request a quote for Methyl 2-hexynoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-hexynoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-hexynoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.