BRN 4581599
TL;DR: BRN 4581599 (CAS 74767-07-0) is a chemical compound with molecular formula C25H19ClN2O3 and molecular weight 430.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-methoxy-2-methylquinolin-4-yl) 2-[(4-chlorophenyl)methylideneamino]benzoate
Also Known As: 2-(((4-Chlorophenyl)methylene)amino)benzoic acid 6-methoxy-2-methyl-4-quinolinyl ester, Benzoic acid, 2-(((4-chlorophenyl)methylene)amino)-, 6-methoxy-2-methyl-4-quinolinyl ester, (6-methoxy-2-methylquinolin-4-yl) 2-[(4-chlorophenyl)methylideneamino]benzoate, BRN 4581599
| Molecular Formula | C25H19ClN2O3 |
|---|---|
| Molecular Weight | 430.11 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 60.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 430.10843 |
| Heavy Atoms | 31 |
| Complexity | 622.0 |
Chemical Identifiers
| CAS Number | 74767-07-0 |
|---|---|
| SMILES | CC1=CC(=C2C=C(C=CC2=N1)OC)OC(=O)C3=CC=CC=C3N=CC4=CC=C(C=C4)Cl |
| InChIKey | UOYVZTBBHODPFA-UHFFFAOYSA-N |
Product Overview
BRN 4581599 (CAS 74767-07-0), with molecular formula C25H19ClN2O3 and molecular weight 430.11 g/mol. IUPAC: (6-methoxy-2-methylquinolin-4-yl) 2-[(4-chlorophenyl)methylideneamino]benzoate.
Chemical Property Profile of BRN 4581599
Property Insights of BRN 4581599
The XLogP value of 5.9 indicates that BRN 4581599 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.8 Ų falls within the moderate polarity range, balancing permeability and solubility for BRN 4581599. Following Lipinski's Rule of Five, BRN 4581599 has 0 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 BRN 4581599?
The CAS number of BRN 4581599 is 74767-07-0.
What is the molecular formula of BRN 4581599?
The molecular formula of BRN 4581599 is C25H19ClN2O3.
What is the molecular weight of BRN 4581599?
The molecular weight of BRN 4581599 is 430.11 g/mol.
Where can I buy BRN 4581599?
You can request a quote for BRN 4581599 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRN 4581599?
Yes, KEHONG BIO provides custom synthesis services for BRN 4581599 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.