1-Methylbutyl hexadecanoate
TL;DR: 1-Methylbutyl hexadecanoate (CAS 55195-08-9) is a chemical compound with molecular formula C21H42O2 and molecular weight 326.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentan-2-yl hexadecanoate
Also Known As: s-amyl palmitate, 1-Methylbutyl hexadecanoate, pentan-2-yl hexadecanoate, 1-Methylbutyl palmitate #, Hexadecanoicacid,1-methylbutylester
| Molecular Formula | C21H42O2 |
|---|---|
| Molecular Weight | 326.32 g/mol |
| LogP | 9.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 18 |
| Exact Mass | 326.31848 |
| Heavy Atoms | 23 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 55195-08-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)OC(C)CCC |
| InChIKey | DZMWBZBWVLFIGD-UHFFFAOYSA-N |
Product Overview
1-Methylbutyl hexadecanoate (CAS 55195-08-9), with molecular formula C21H42O2 and molecular weight 326.32 g/mol. IUPAC: pentan-2-yl hexadecanoate.
Chemical Property Profile of 1-Methylbutyl hexadecanoate
Property Insights of 1-Methylbutyl hexadecanoate
The XLogP value of 9.1 indicates that 1-Methylbutyl hexadecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 1-Methylbutyl hexadecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methylbutyl hexadecanoate 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 1-Methylbutyl hexadecanoate?
The CAS number of 1-Methylbutyl hexadecanoate is 55195-08-9.
What is the molecular formula of 1-Methylbutyl hexadecanoate?
The molecular formula of 1-Methylbutyl hexadecanoate is C21H42O2.
What is the molecular weight of 1-Methylbutyl hexadecanoate?
The molecular weight of 1-Methylbutyl hexadecanoate is 326.32 g/mol.
Where can I buy 1-Methylbutyl hexadecanoate?
You can request a quote for 1-Methylbutyl hexadecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methylbutyl hexadecanoate?
Yes, KEHONG BIO provides custom synthesis services for 1-Methylbutyl hexadecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.