Einecs 243-686-9
TL;DR: Einecs 243-686-9 (CAS 20285-77-2) is a chemical compound with molecular formula C37H52N2O4 and molecular weight 588.3927 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(4-hydroxynaphthalene-2-carbonyl)amino]-4-[methyl(octadecyl)amino]benzoic acid
Also Known As: 3-{[(4-hydroxynaphthalen-2-yl)carbonyl]amino}-4-[methyl(octadecyl)amino]benzoic acid, 3-(((1-Hydroxy-2-naphthyl)carbonyl)amino)-4-(methyloctadecylamino)benzoic acid, 3-[(4-hydroxynaphthalene-2-carbonyl)amino]-4-[methyl(octadecyl)amino]benzoic acid, Benzoic acid,3-[[(1-hydroxy-2-naphthalenyl)carbonyl]amino]-4-(methyloctadecylamino)-, 3-{[Hydroxy(4-hydroxynaphthalen-2-yl)methylidene]amino}-4-[methyl(octadecyl)amino]benzoic acid
Technical Specifications
| Molecular Formula | C37H52N2O4 |
| Molecular Weight | 588.3927 g/mol |
| XLogP | 12.1 |
| Topological Polar Surface Area (TPSA) | 89.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 21 |
| Exact Mass | 588.3927 Da |
| Heavy Atoms | 43 |
| Complexity | 776.0 |
| SMILES | CCCCCCCCCCCCCCCCCCN(C)C1=C(C=C(C=C1)C(=O)O)NC(=O)C2=CC3=CC=CC=C3C(=C2)O |
| InChIKey | MHZLYPJCRQHPSV-UHFFFAOYSA-N |
Chemical Property Profile of Einecs 243-686-9
Property Insights of Einecs 243-686-9
The XLogP value of 12.1 indicates that Einecs 243-686-9 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Einecs 243-686-9. Following Lipinski's Rule of Five, Einecs 243-686-9 has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Einecs 243-686-9?
The CAS number of Einecs 243-686-9 is 20285-77-2.
What is the molecular formula of Einecs 243-686-9?
The molecular formula of Einecs 243-686-9 is C37H52N2O4.
What is the molecular weight of Einecs 243-686-9?
The molecular weight of Einecs 243-686-9 is 588.3927 g/mol.
Where can I buy Einecs 243-686-9?
You can request a quote for Einecs 243-686-9 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Einecs 243-686-9?
Yes, CoreyChem provides custom synthesis services for Einecs 243-686-9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.