Einecs 258-431-7
TL;DR: Einecs 258-431-7 (CAS 53214-30-5) is a chemical compound with molecular formula C54H109NO2 and molecular weight 803.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-octadec-9-enoic acid;N-octadecyloctadecan-1-amine
Also Known As: EINECS 258-431-7, Oleic acid, compound with dioctadecylamine (1:1), OLEIC ACID COMPOUND WITH DISTEARYLAMINE, (Z)-octadec-9-enoic acid; N-octadecyloctadecan-1-amine, 9-Octadecenoic acid (Z)-, compd. with N-octadecyl-1-octadecanamine (1:1)
| Molecular Formula | C54H109NO2 |
|---|---|
| Molecular Weight | 803.85 g/mol |
| LogP | 19.2075 |
| Topological Polar Surface Area | 49.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 49 |
| Exact Mass | 803.8458 |
| Heavy Atoms | 57 |
| Complexity | 686.53766 |
Chemical Identifiers
| CAS Number | 53214-30-5 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCNCCCCCCCCCCCCCCCCCC.CCCCCCCC/C=C\CCCCCCCC(=O)O |
Product Overview
Einecs 258-431-7 (CAS 53214-30-5), with molecular formula C54H109NO2 and molecular weight 803.85 g/mol. IUPAC: (Z)-octadec-9-enoic acid;N-octadecyloctadecan-1-amine.
Chemical Property Profile of Einecs 258-431-7
Property Insights of Einecs 258-431-7
The XLogP value of 19.2075 indicates that Einecs 258-431-7 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.33 Ų, Einecs 258-431-7 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Einecs 258-431-7 has 2 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 Einecs 258-431-7?
The CAS number of Einecs 258-431-7 is 53214-30-5.
What is the molecular formula of Einecs 258-431-7?
The molecular formula of Einecs 258-431-7 is C54H109NO2.
What is the molecular weight of Einecs 258-431-7?
The molecular weight of Einecs 258-431-7 is 803.85 g/mol.
Where can I buy Einecs 258-431-7?
You can request a quote for Einecs 258-431-7 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 258-431-7?
Yes, KEHONG BIO provides custom synthesis services for Einecs 258-431-7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.