Methyl 2-hexyldecanoate
TL;DR: Methyl 2-hexyldecanoate (CAS 54889-76-8) is a chemical compound with molecular formula C17H34O2 and molecular weight 270.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-hexyldecanoate
Also Known As: Methyl 2-hexyldecanoate, Methyl 2-hexyldecanoate #, 2-Hexyldecanoic acid methyl ester, Decanoic acid, 2-hexyl-, methyl ester, D,L-2-Hexyl-decansaeure-methylester
| Molecular Formula | C17H34O2 |
|---|---|
| Molecular Weight | 270.26 g/mol |
| LogP | 7.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 14 |
| Exact Mass | 270.2559 |
| Heavy Atoms | 19 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 54889-76-8 |
|---|---|
| SMILES | CCCCCCCCC(CCCCCC)C(=O)OC |
| InChIKey | PBRCCXNUTAGYJI-UHFFFAOYSA-N |
Product Overview
Methyl 2-hexyldecanoate (CAS 54889-76-8), with molecular formula C17H34O2 and molecular weight 270.26 g/mol. IUPAC: methyl 2-hexyldecanoate.
Chemical Property Profile of Methyl 2-hexyldecanoate
Property Insights of Methyl 2-hexyldecanoate
The XLogP value of 7.3 indicates that Methyl 2-hexyldecanoate 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-hexyldecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-hexyldecanoate 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-hexyldecanoate?
The CAS number of Methyl 2-hexyldecanoate is 54889-76-8.
What is the molecular formula of Methyl 2-hexyldecanoate?
The molecular formula of Methyl 2-hexyldecanoate is C17H34O2.
What is the molecular weight of Methyl 2-hexyldecanoate?
The molecular weight of Methyl 2-hexyldecanoate is 270.26 g/mol.
Where can I buy Methyl 2-hexyldecanoate?
You can request a quote for Methyl 2-hexyldecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-hexyldecanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-hexyldecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.