ChemDiv1_007492
TL;DR: ChemDiv1_007492 (CAS 312623-45-3) is a chemical compound with molecular formula C28H21ClN4O6 and molecular weight 544.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
Also Known As: ChemDiv1_007492, BAS 01289738, BIM-0001395.P001, F0394-0046, AF-399/15285027
| Molecular Formula | C28H21ClN4O6 |
|---|---|
| Molecular Weight | 544.12 g/mol |
| LogP | 5.2992 |
| Topological Polar Surface Area | 145.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 544.115 |
| Heavy Atoms | 39 |
| Complexity | 1716.7239 |
Chemical Identifiers
| CAS Number | 312623-45-3 |
|---|---|
| SMILES | C1C(N(N=C1C2=C(C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC=C4)C(=O)CCC(=O)O)C5=CC(=CC=C5)[N+](=O)[O-] |
Product Overview
ChemDiv1_007492 (CAS 312623-45-3), with molecular formula C28H21ClN4O6 and molecular weight 544.12 g/mol. IUPAC: 4-[5-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-(3-nitrophenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid.
Chemical Property Profile of ChemDiv1_007492
Property Insights of ChemDiv1_007492
The XLogP value of 5.2992 indicates that ChemDiv1_007492 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 145.97 Ų indicates high polarity, suggesting ChemDiv1_007492 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ChemDiv1_007492 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_007492?
The CAS number of ChemDiv1_007492 is 312623-45-3.
What is the molecular formula of ChemDiv1_007492?
The molecular formula of ChemDiv1_007492 is C28H21ClN4O6.
What is the molecular weight of ChemDiv1_007492?
The molecular weight of ChemDiv1_007492 is 544.12 g/mol.
Where can I buy ChemDiv1_007492?
You can request a quote for ChemDiv1_007492 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_007492?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_007492 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.