Methyl 2-hexadecynoate
TL;DR: Methyl 2-hexadecynoate (CAS 63125-05-3) is a chemical compound with molecular formula C17H30O2 and molecular weight 266.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl hexadec-2-ynoate
Also Known As: Methyl 2-hexadecynoate, methyl hexadec-2-ynoate, 2-Hexadecynoic acid, methyl ester, RefChem:157338
| Molecular Formula | C17H30O2 |
|---|---|
| Molecular Weight | 266.22 g/mol |
| LogP | 7.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 266.22458 |
| Heavy Atoms | 19 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 63125-05-3 |
|---|---|
| SMILES | CCCCCCCCCCCCCC#CC(=O)OC |
| InChIKey | YJRBCRUHENXHFY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-hexadecynoate (CAS 63125-05-3), with molecular formula C17H30O2 and molecular weight 266.22 g/mol. IUPAC: methyl hexadec-2-ynoate.
Chemical Property Profile of Methyl 2-hexadecynoate
Property Insights of Methyl 2-hexadecynoate
The XLogP value of 7.5 indicates that Methyl 2-hexadecynoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 2-hexadecynoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-hexadecynoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 2-hexadecynoate?
The CAS number of Methyl 2-hexadecynoate is 63125-05-3.
What is the molecular formula of Methyl 2-hexadecynoate?
The molecular formula of Methyl 2-hexadecynoate is C17H30O2.
What is the molecular weight of Methyl 2-hexadecynoate?
The molecular weight of Methyl 2-hexadecynoate is 266.22 g/mol.
Where can I buy Methyl 2-hexadecynoate?
You can request a quote for Methyl 2-hexadecynoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-hexadecynoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-hexadecynoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.