Propyl pentacontanoate
TL;DR: Propyl pentacontanoate (CAS 40710-39-2) is a chemical compound with molecular formula C53H106O2 and molecular weight 774.82 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl pentacontanoate
Also Known As: Propyl pentacontanoate, n-propyl-pentacontanoate, Pentacontanoicacidpropylester, Pentacontanoic acid, propyl ester, Pentacontanoic acid propyl ester
| Molecular Formula | C53H106O2 |
|---|---|
| Molecular Weight | 774.82 g/mol |
| LogP | 26.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 51 |
| Exact Mass | 774.8193 |
| Heavy Atoms | 55 |
| Complexity | 673.0 |
Chemical Identifiers
| CAS Number | 40710-39-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCC |
| InChIKey | UVKWCJCYEHURAB-UHFFFAOYSA-N |
Product Overview
Propyl pentacontanoate (CAS 40710-39-2), with molecular formula C53H106O2 and molecular weight 774.82 g/mol. IUPAC: propyl pentacontanoate.
Chemical Property Profile of Propyl pentacontanoate
Property Insights of Propyl pentacontanoate
The XLogP value of 26.8 indicates that Propyl 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, Propyl pentacontanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl 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 Propyl pentacontanoate?
The CAS number of Propyl pentacontanoate is 40710-39-2.
What is the molecular formula of Propyl pentacontanoate?
The molecular formula of Propyl pentacontanoate is C53H106O2.
What is the molecular weight of Propyl pentacontanoate?
The molecular weight of Propyl pentacontanoate is 774.82 g/mol.
Where can I buy Propyl pentacontanoate?
You can request a quote for Propyl pentacontanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl pentacontanoate?
Yes, KEHONG BIO provides custom synthesis services for Propyl pentacontanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.