Methyl behenate
TL;DR: Methyl behenate (CAS 929-77-1) is a chemical compound with molecular formula C23H46O2 and molecular weight 354.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl docosanoate
Also Known As: Methyl behenate, Methyl docosanoate, Behenic acid methyl ester, Docosanoic acid, methyl ester, Docosanoic acid methyl ester
| Molecular Formula | C23H46O2 |
|---|---|
| Molecular Weight | 354.35 g/mol |
| LogP | 11.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 21 |
| Exact Mass | 354.3498 |
| Heavy Atoms | 25 |
| Complexity | 263.0 |
| Melting Point | 54 °C |
| Boiling Point | 224-225 °C @ 15 MM HG |
| Solubility | INSOL IN WATER; SOL IN ALCOHOL, ETHER |
| Vapor Pressure | 0.0000013 [mmHg] |
| Refractive Index | 1.4339 @ 60 °C |
Chemical Identifiers
| CAS Number | 929-77-1 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCCCCC(=O)OC |
| InChIKey | QSQLTHHMFHEFIY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl behenate (CAS 929-77-1), with molecular formula C23H46O2 and molecular weight 354.35 g/mol. IUPAC: methyl docosanoate.
Chemical Property Profile of Methyl behenate
Property Insights of Methyl behenate
The XLogP value of 11.2 indicates that Methyl behenate 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 behenate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl behenate 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 behenate?
The CAS number of Methyl behenate is 929-77-1.
What is the molecular formula of Methyl behenate?
The molecular formula of Methyl behenate is C23H46O2.
What is the molecular weight of Methyl behenate?
The molecular weight of Methyl behenate is 354.35 g/mol.
Where can I buy Methyl behenate?
You can request a quote for Methyl behenate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl behenate?
Yes, KEHONG BIO provides custom synthesis services for Methyl behenate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.