Butyl 16-methylheptadecanoate
TL;DR: Butyl 16-methylheptadecanoate (CAS 94109-07-6) is a chemical compound with molecular formula C22H44O2 and molecular weight 340.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 16-methylheptadecanoate
Also Known As: Butyl 16-methylheptadecanoate, butyl isostearate, EINECS 302-444-3, Butyl 16- methylheptadecanoate, 16-Methylheptadecanoic acid butyl ester
| Molecular Formula | C22H44O2 |
|---|---|
| Molecular Weight | 340.33 g/mol |
| LogP | 7.4471 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 18 |
| Exact Mass | 340.33414 |
| Heavy Atoms | 24 |
| Complexity | 260.69553 |
Chemical Identifiers
| CAS Number | 94109-07-6 |
|---|---|
| SMILES | CCCCOC(=O)CCCCCCCCCCCCCCC(C)C |
Product Overview
Butyl 16-methylheptadecanoate (CAS 94109-07-6), with molecular formula C22H44O2 and molecular weight 340.33 g/mol. IUPAC: butyl 16-methylheptadecanoate.
Chemical Property Profile of Butyl 16-methylheptadecanoate
Property Insights of Butyl 16-methylheptadecanoate
The XLogP value of 7.4471 indicates that Butyl 16-methylheptadecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Butyl 16-methylheptadecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 16-methylheptadecanoate 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 Butyl 16-methylheptadecanoate?
The CAS number of Butyl 16-methylheptadecanoate is 94109-07-6.
What is the molecular formula of Butyl 16-methylheptadecanoate?
The molecular formula of Butyl 16-methylheptadecanoate is C22H44O2.
What is the molecular weight of Butyl 16-methylheptadecanoate?
The molecular weight of Butyl 16-methylheptadecanoate is 340.33 g/mol.
Where can I buy Butyl 16-methylheptadecanoate?
You can request a quote for Butyl 16-methylheptadecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 16-methylheptadecanoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 16-methylheptadecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.