Methyl 5,8,11-heptadecatriynoate
TL;DR: Methyl 5,8,11-heptadecatriynoate (CAS 56554-57-5) is a chemical compound with molecular formula C18H24O2 and molecular weight 272.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl heptadeca-5,8,11-triynoate
Also Known As: Methyl 5,8,11-heptadecatriynoate, methyl heptadeca-5,8,11-triynoate, Methyl 5,8,11-heptadecatriynoate #, 5,8,11-Heptadecatriynoic acid methyl ester, 5,8,11-Heptadecatriynoic acid, methyl ester
| Molecular Formula | C18H24O2 |
|---|---|
| Molecular Weight | 272.18 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 272.17764 |
| Heavy Atoms | 20 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 56554-57-5 |
|---|---|
| SMILES | CCCCCC#CCC#CCC#CCCCC(=O)OC |
| InChIKey | VDCFKSNWTRZOAQ-UHFFFAOYSA-N |
Product Overview
Methyl 5,8,11-heptadecatriynoate (CAS 56554-57-5), with molecular formula C18H24O2 and molecular weight 272.18 g/mol. IUPAC: methyl heptadeca-5,8,11-triynoate.
Chemical Property Profile of Methyl 5,8,11-heptadecatriynoate
Property Insights of Methyl 5,8,11-heptadecatriynoate
The XLogP value of 4.9 indicates that Methyl 5,8,11-heptadecatriynoate 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 5,8,11-heptadecatriynoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 5,8,11-heptadecatriynoate 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 5,8,11-heptadecatriynoate?
The CAS number of Methyl 5,8,11-heptadecatriynoate is 56554-57-5.
What is the molecular formula of Methyl 5,8,11-heptadecatriynoate?
The molecular formula of Methyl 5,8,11-heptadecatriynoate is C18H24O2.
What is the molecular weight of Methyl 5,8,11-heptadecatriynoate?
The molecular weight of Methyl 5,8,11-heptadecatriynoate is 272.18 g/mol.
Where can I buy Methyl 5,8,11-heptadecatriynoate?
You can request a quote for Methyl 5,8,11-heptadecatriynoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5,8,11-heptadecatriynoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5,8,11-heptadecatriynoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.