12-Hexyloctadecanoic acid methyl ester
TL;DR: 12-Hexyloctadecanoic acid methyl ester (CAS 55334-68-4) is a chemical compound with molecular formula C25H50O2 and molecular weight 382.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 12-hexyloctadecanoate
Also Known As: Methyl 12-hexyloctadecanoate, Methyl 12-hexyloctadecanoate #, 12-Hexyloctadecanoic acid methyl ester, Octadecanoic acid, 12-hexyl-, methyl ester
| Molecular Formula | C25H50O2 |
|---|---|
| Molecular Weight | 382.38 g/mol |
| LogP | 11.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 22 |
| Exact Mass | 382.38107 |
| Heavy Atoms | 27 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 55334-68-4 |
|---|---|
| SMILES | CCCCCCC(CCCCCC)CCCCCCCCCCC(=O)OC |
| InChIKey | IIHYUSLGJZWXAW-UHFFFAOYSA-N |
Product Overview
12-Hexyloctadecanoic acid methyl ester (CAS 55334-68-4), with molecular formula C25H50O2 and molecular weight 382.38 g/mol. IUPAC: methyl 12-hexyloctadecanoate.
Chemical Property Profile of 12-Hexyloctadecanoic acid methyl ester
Property Insights of 12-Hexyloctadecanoic acid methyl ester
The XLogP value of 11.5 indicates that 12-Hexyloctadecanoic acid methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 12-Hexyloctadecanoic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12-Hexyloctadecanoic acid methyl ester 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 12-Hexyloctadecanoic acid methyl ester?
The CAS number of 12-Hexyloctadecanoic acid methyl ester is 55334-68-4.
What is the molecular formula of 12-Hexyloctadecanoic acid methyl ester?
The molecular formula of 12-Hexyloctadecanoic acid methyl ester is C25H50O2.
What is the molecular weight of 12-Hexyloctadecanoic acid methyl ester?
The molecular weight of 12-Hexyloctadecanoic acid methyl ester is 382.38 g/mol.
Where can I buy 12-Hexyloctadecanoic acid methyl ester?
You can request a quote for 12-Hexyloctadecanoic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-Hexyloctadecanoic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 12-Hexyloctadecanoic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.