Methyl hexacontanoate
TL;DR: Methyl hexacontanoate (CAS 40710-35-8) is a chemical compound with molecular formula C61H122O2 and molecular weight 886.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl hexacontanoate
Also Known As: Methyl hexacontanoate, Hexacontanoicacidmethylester, Hexacontanoic acid, methyl ester, Hexacontanoic acid methyl ester, RefChem:356665
| Molecular Formula | C61H122O2 |
|---|---|
| Molecular Weight | 886.94 g/mol |
| LogP | 31.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 59 |
| Exact Mass | 886.94446 |
| Heavy Atoms | 63 |
| Complexity | 792.0 |
Chemical Identifiers
| CAS Number | 40710-35-8 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC |
| InChIKey | SRJUGFAAGTVPIR-UHFFFAOYSA-N |
Product Overview
Methyl hexacontanoate (CAS 40710-35-8), with molecular formula C61H122O2 and molecular weight 886.94 g/mol. IUPAC: methyl hexacontanoate.
Chemical Property Profile of Methyl hexacontanoate
Property Insights of Methyl hexacontanoate
The XLogP value of 31.7 indicates that Methyl hexacontanoate 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 hexacontanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl hexacontanoate 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 hexacontanoate?
The CAS number of Methyl hexacontanoate is 40710-35-8.
What is the molecular formula of Methyl hexacontanoate?
The molecular formula of Methyl hexacontanoate is C61H122O2.
What is the molecular weight of Methyl hexacontanoate?
The molecular weight of Methyl hexacontanoate is 886.94 g/mol.
Where can I buy Methyl hexacontanoate?
You can request a quote for Methyl hexacontanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl hexacontanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl hexacontanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.