Methyl pentacontanoate
TL;DR: Methyl pentacontanoate (CAS 40710-34-7) is a chemical compound with molecular formula C51H102O2 and molecular weight 746.79 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl pentacontanoate
Also Known As: Methyl pentacontanoate, Pentacontanoic acid, methyl ester, Pentacontanoic acid methyl ester, RefChem:356821
| Molecular Formula | C51H102O2 |
|---|---|
| Molecular Weight | 746.79 g/mol |
| LogP | 26.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 49 |
| Exact Mass | 746.78796 |
| Heavy Atoms | 53 |
| Complexity | 644.0 |
Chemical Identifiers
| CAS Number | 40710-34-7 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC |
| InChIKey | LYZSDFGZGSQRQT-UHFFFAOYSA-N |
Product Overview
Methyl pentacontanoate (CAS 40710-34-7), with molecular formula C51H102O2 and molecular weight 746.79 g/mol. IUPAC: methyl pentacontanoate.
Chemical Property Profile of Methyl pentacontanoate
Property Insights of Methyl pentacontanoate
The XLogP value of 26.3 indicates that Methyl pentacontanoate 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 pentacontanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl pentacontanoate 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 pentacontanoate?
The CAS number of Methyl pentacontanoate is 40710-34-7.
What is the molecular formula of Methyl pentacontanoate?
The molecular formula of Methyl pentacontanoate is C51H102O2.
What is the molecular weight of Methyl pentacontanoate?
The molecular weight of Methyl pentacontanoate is 746.79 g/mol.
Where can I buy Methyl pentacontanoate?
You can request a quote for Methyl pentacontanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl pentacontanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl pentacontanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.