Einecs 257-316-9
TL;DR: Einecs 257-316-9 (CAS 51606-31-6) is a chemical compound with molecular formula C22H48NO6P and molecular weight 453.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-hydroxyethylamino)ethanol;[(Z)-octadec-9-enyl] dihydrogen phosphate
Also Known As: EINECS 257-316-9, 9-Octadecen-1-ol, phosphate, (Z)-, compd. with 2,2'-iminobis(ethanol), 2-(2-hydroxyethylamino)ethanol; [(Z)-octadec-9-enyl] dihydrogen phosphate, 9-Octadecen-1-ol, phosphate, (Z)-, compd. with 2,2'-iminobis[ethanol]
| Molecular Formula | C22H48NO6P |
|---|---|
| Molecular Weight | 453.32 g/mol |
| LogP | 4.6938 |
| Topological Polar Surface Area | 119.25 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 21 |
| Exact Mass | 453.32193 |
| Heavy Atoms | 30 |
| Complexity | 385.82404 |
Chemical Identifiers
| CAS Number | 51606-31-6 |
|---|---|
| SMILES | CCCCCCCC/C=C\CCCCCCCCOP(=O)(O)O.C(CO)NCCO |
Product Overview
Einecs 257-316-9 (CAS 51606-31-6), with molecular formula C22H48NO6P and molecular weight 453.32 g/mol. IUPAC: 2-(2-hydroxyethylamino)ethanol;[(Z)-octadec-9-enyl] dihydrogen phosphate.
Chemical Property Profile of Einecs 257-316-9
Property Insights of Einecs 257-316-9
The XLogP value of 4.6938 indicates that Einecs 257-316-9 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.25 Ų falls within the moderate polarity range, balancing permeability and solubility for Einecs 257-316-9. Following Lipinski's Rule of Five, Einecs 257-316-9 has 5 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Einecs 257-316-9?
The CAS number of Einecs 257-316-9 is 51606-31-6.
What is the molecular formula of Einecs 257-316-9?
The molecular formula of Einecs 257-316-9 is C22H48NO6P.
What is the molecular weight of Einecs 257-316-9?
The molecular weight of Einecs 257-316-9 is 453.32 g/mol.
Where can I buy Einecs 257-316-9?
You can request a quote for Einecs 257-316-9 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 257-316-9?
Yes, KEHONG BIO provides custom synthesis services for Einecs 257-316-9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.