Methyl 3,6-octadecadiynoate
TL;DR: Methyl 3,6-octadecadiynoate (CAS 56554-43-9) is a chemical compound with molecular formula C19H30O2 and molecular weight 290.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl octadeca-3,6-diynoate
Also Known As: Methyl 3,6-octadecadiynoate, methyl octadeca-3,6-diynoate, Methyl 3,6-octadecadiynoate #, 3,6-Octadecadiynoic acid, methyl ester, 3,6-Octadecadiynoic acid methyl ester
| Molecular Formula | C19H30O2 |
|---|---|
| Molecular Weight | 290.22 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 290.22458 |
| Heavy Atoms | 21 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 56554-43-9 |
|---|---|
| SMILES | CCCCCCCCCCCC#CCC#CCC(=O)OC |
| InChIKey | DEEGKBFXEYTHPK-UHFFFAOYSA-N |
Product Overview
Methyl 3,6-octadecadiynoate (CAS 56554-43-9), with molecular formula C19H30O2 and molecular weight 290.22 g/mol. IUPAC: methyl octadeca-3,6-diynoate.
Chemical Property Profile of Methyl 3,6-octadecadiynoate
Property Insights of Methyl 3,6-octadecadiynoate
The XLogP value of 6.8 indicates that Methyl 3,6-octadecadiynoate 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 3,6-octadecadiynoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3,6-octadecadiynoate 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 3,6-octadecadiynoate?
The CAS number of Methyl 3,6-octadecadiynoate is 56554-43-9.
What is the molecular formula of Methyl 3,6-octadecadiynoate?
The molecular formula of Methyl 3,6-octadecadiynoate is C19H30O2.
What is the molecular weight of Methyl 3,6-octadecadiynoate?
The molecular weight of Methyl 3,6-octadecadiynoate is 290.22 g/mol.
Where can I buy Methyl 3,6-octadecadiynoate?
You can request a quote for Methyl 3,6-octadecadiynoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3,6-octadecadiynoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3,6-octadecadiynoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.