Einecs 261-147-6
TL;DR: Einecs 261-147-6 (CAS 58162-63-3) is a chemical compound with molecular formula C44H54N2O7 and molecular weight 722.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(1-hydroxynaphthalene-2-carbonyl)-[[3-(octadecanoylamino)phenyl]methyl]amino]benzene-1,3-dicarboxylic acid
Also Known As: 5-[[carbonyl][[3-[amino]phenyl]methyl]amino]phthalicacid, 5-{[(1-hydroxynaphthalen-2-yl)carbonyl][3-(octadecanoylamino)benzyl]amino}benzene-1,3-dicarboxylic acid, 5-[1-Hydroxy-2-naphthalenylcarbonyl[3-(1-oxooctadecylamino)phenylmethyl]amino]isophthalic acid, 5-(((1-Hydroxy-2-naphthyl)carbonyl)((3-((1-oxooctadecyl)amino)phenyl)methyl)amino)phthalic acid, 1,3-Benzenedicarboxylicacid,5-[[(1-hydroxy-2-naphthalenyl)carbonyl][[3-[(1-oxooctadecyl)amino]phenyl]methyl]amino]-
| Molecular Formula | C44H54N2O7 |
|---|---|
| Molecular Weight | 722.39 g/mol |
| LogP | 12.5 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 23 |
| Exact Mass | 722.3931 |
| Heavy Atoms | 53 |
| Complexity | 1090.0 |
Chemical Identifiers
| CAS Number | 58162-63-3 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)NC1=CC=CC(=C1)CN(C2=CC(=CC(=C2)C(=O)O)C(=O)O)C(=O)C3=C(C4=CC=CC=C4C=C3)O |
| InChIKey | ZHVDMTBKQQTUPA-UHFFFAOYSA-N |
Product Overview
Einecs 261-147-6 (CAS 58162-63-3), with molecular formula C44H54N2O7 and molecular weight 722.39 g/mol. IUPAC: 5-[(1-hydroxynaphthalene-2-carbonyl)-[[3-(octadecanoylamino)phenyl]methyl]amino]benzene-1,3-dicarboxylic acid.
Chemical Property Profile of Einecs 261-147-6
Property Insights of Einecs 261-147-6
The XLogP value of 12.5 indicates that Einecs 261-147-6 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.0 Ų indicates high polarity, suggesting Einecs 261-147-6 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Einecs 261-147-6 has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Einecs 261-147-6?
The CAS number of Einecs 261-147-6 is 58162-63-3.
What is the molecular formula of Einecs 261-147-6?
The molecular formula of Einecs 261-147-6 is C44H54N2O7.
What is the molecular weight of Einecs 261-147-6?
The molecular weight of Einecs 261-147-6 is 722.39 g/mol.
Where can I buy Einecs 261-147-6?
You can request a quote for Einecs 261-147-6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 261-147-6?
Yes, KEHONG BIO provides custom synthesis services for Einecs 261-147-6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.