Methyl octadec-9-EN-12-ynoate
TL;DR: Methyl octadec-9-EN-12-ynoate (CAS 56847-05-3) is a chemical compound with molecular formula C19H32O2 and molecular weight 292.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl octadec-9-en-12-ynoate
Also Known As: methyl crepenynate, methyl 9-octadecen-12-ynoate, METHYL OCTADEC-9-EN-12-YNOATE, 9-Octadecen-12-ynoic acid, methyl ester, (9Z)-, methyl (9Z)-octadec-9-en-12-ynoate
| Molecular Formula | C19H32O2 |
|---|---|
| Molecular Weight | 292.24 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 13 |
| Exact Mass | 292.24023 |
| Heavy Atoms | 21 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 56847-05-3 |
|---|---|
| SMILES | CCCCCC#CCC=CCCCCCCCC(=O)OC |
| InChIKey | PBUBQZYMYOKABE-UHFFFAOYSA-N |
Product Overview
Methyl octadec-9-EN-12-ynoate (CAS 56847-05-3), with molecular formula C19H32O2 and molecular weight 292.24 g/mol. IUPAC: methyl octadec-9-en-12-ynoate.
Chemical Property Profile of Methyl octadec-9-EN-12-ynoate
Property Insights of Methyl octadec-9-EN-12-ynoate
The XLogP value of 6.7 indicates that Methyl octadec-9-EN-12-ynoate 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 octadec-9-EN-12-ynoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl octadec-9-EN-12-ynoate 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 octadec-9-EN-12-ynoate?
The CAS number of Methyl octadec-9-EN-12-ynoate is 56847-05-3.
What is the molecular formula of Methyl octadec-9-EN-12-ynoate?
The molecular formula of Methyl octadec-9-EN-12-ynoate is C19H32O2.
What is the molecular weight of Methyl octadec-9-EN-12-ynoate?
The molecular weight of Methyl octadec-9-EN-12-ynoate is 292.24 g/mol.
Where can I buy Methyl octadec-9-EN-12-ynoate?
You can request a quote for Methyl octadec-9-EN-12-ynoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl octadec-9-EN-12-ynoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl octadec-9-EN-12-ynoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.