Methyl 2-propylhexadecanoate
TL;DR: Methyl 2-propylhexadecanoate (CAS 77828-58-1) is a chemical compound with molecular formula C20H40O2 and molecular weight 312.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-propylhexadecanoate
Also Known As: Methyl 2-propylhexadecanoate, Methyl 2-propylhexadecanoate #, 2-Propylhexadecanoic acid methyl ester, Hexadecanoic acid, 2-propyl-, methyl ester
| Molecular Formula | C20H40O2 |
|---|---|
| Molecular Weight | 312.30 g/mol |
| LogP | 8.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 17 |
| Exact Mass | 312.30283 |
| Heavy Atoms | 22 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 77828-58-1 |
|---|---|
| SMILES | CCCCCCCCCCCCCCC(CCC)C(=O)OC |
| InChIKey | CEQFOPGJYSVALV-UHFFFAOYSA-N |
Product Overview
Methyl 2-propylhexadecanoate (CAS 77828-58-1), with molecular formula C20H40O2 and molecular weight 312.30 g/mol. IUPAC: methyl 2-propylhexadecanoate.
Chemical Property Profile of Methyl 2-propylhexadecanoate
Property Insights of Methyl 2-propylhexadecanoate
The XLogP value of 8.4 indicates that Methyl 2-propylhexadecanoate 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-propylhexadecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-propylhexadecanoate 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-propylhexadecanoate?
The CAS number of Methyl 2-propylhexadecanoate is 77828-58-1.
What is the molecular formula of Methyl 2-propylhexadecanoate?
The molecular formula of Methyl 2-propylhexadecanoate is C20H40O2.
What is the molecular weight of Methyl 2-propylhexadecanoate?
The molecular weight of Methyl 2-propylhexadecanoate is 312.30 g/mol.
Where can I buy Methyl 2-propylhexadecanoate?
You can request a quote for Methyl 2-propylhexadecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-propylhexadecanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-propylhexadecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.