Einecs 272-467-0
TL;DR: Einecs 272-467-0 (CAS 68845-40-9) is a chemical compound with molecular formula C35H75N2O7P and molecular weight 666.53 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-N-(2-aminoethyl)-N-(2-hydroxyethyl)octadec-9-enamide;phosphoric acid;tridecan-1-ol
Also Known As: EINECS 272-467-0, 9-Octadecenamide, N-(2-aminoethyl)-N-(2-hydroxyethyl)-, (9Z)-, compd. with 1-tridecanol phosphate, Phosphoric acid, tridecyl ester, compd. with (Z)-N-(2-aminoethyl)-N-(2-hydroxyethyl)-9-octadecenamide, (Z)-N-(2-aminoethyl)-N-(2-hydroxyethyl)octadec-9-enamide; phosphoric acid; tridecan-1-ol, 9-Octadecenamide, N-(2-aminoethyl)-N-(2-hydroxyethyl)-, (Z)-, compd. with 1-tridecanol phosphate
| Molecular Formula | C35H75N2O7P |
|---|---|
| Molecular Weight | 666.53 g/mol |
| LogP | 8.1646 |
| Topological Polar Surface Area | 164.55 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 30 |
| Exact Mass | 666.5312 |
| Heavy Atoms | 45 |
| Complexity | 621.2202 |
Chemical Identifiers
| CAS Number | 68845-40-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCO.CCCCCCCC/C=C\CCCCCCCC(=O)N(CCN)CCO.OP(=O)(O)O |
Product Overview
Einecs 272-467-0 (CAS 68845-40-9), with molecular formula C35H75N2O7P and molecular weight 666.53 g/mol. IUPAC: (Z)-N-(2-aminoethyl)-N-(2-hydroxyethyl)octadec-9-enamide;phosphoric acid;tridecan-1-ol.
Chemical Property Profile of Einecs 272-467-0
Property Insights of Einecs 272-467-0
The XLogP value of 8.1646 indicates that Einecs 272-467-0 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 164.55 Ų indicates high polarity, suggesting Einecs 272-467-0 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Einecs 272-467-0 has 6 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Einecs 272-467-0?
The CAS number of Einecs 272-467-0 is 68845-40-9.
What is the molecular formula of Einecs 272-467-0?
The molecular formula of Einecs 272-467-0 is C35H75N2O7P.
What is the molecular weight of Einecs 272-467-0?
The molecular weight of Einecs 272-467-0 is 666.53 g/mol.
Where can I buy Einecs 272-467-0?
You can request a quote for Einecs 272-467-0 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 272-467-0?
Yes, KEHONG BIO provides custom synthesis services for Einecs 272-467-0 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.