ChemDiv1_004840
TL;DR: ChemDiv1_004840 (CAS 361479-85-8) is a chemical compound with molecular formula C25H25N3O5 and molecular weight 447.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(7-ethoxy-2-oxo-1H-quinolin-3-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
Also Known As: ChemDiv1_004840, 4-[5-(7-ethoxy-2-oxo-1,2-dihydroquinolin-3-yl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid, F0770-0044, 4-[3-(7-ethoxy-2-oxo-1H-quinolin-3-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid, 4-(5-(7-ethoxy-2-oxo-1,2-dihydroquinolin-3-yl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid
| Molecular Formula | C25H25N3O5 |
|---|---|
| Molecular Weight | 447.18 g/mol |
| LogP | 3.77772 |
| Topological Polar Surface Area | 112.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 447.1794 |
| Heavy Atoms | 33 |
| Complexity | 1293.6354 |
Chemical Identifiers
| CAS Number | 361479-85-8 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)C=C(C(=O)N2)C3CC(=NN3C(=O)CCC(=O)O)C4=CC=C(C=C4)C |
Product Overview
ChemDiv1_004840 (CAS 361479-85-8), with molecular formula C25H25N3O5 and molecular weight 447.18 g/mol. IUPAC: 4-[3-(7-ethoxy-2-oxo-1H-quinolin-3-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid.
Chemical Property Profile of ChemDiv1_004840
Property Insights of ChemDiv1_004840
The XLogP value of 3.77772 indicates that ChemDiv1_004840 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.06 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004840. Following Lipinski's Rule of Five, ChemDiv1_004840 has 2 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 ChemDiv1_004840?
The CAS number of ChemDiv1_004840 is 361479-85-8.
What is the molecular formula of ChemDiv1_004840?
The molecular formula of ChemDiv1_004840 is C25H25N3O5.
What is the molecular weight of ChemDiv1_004840?
The molecular weight of ChemDiv1_004840 is 447.18 g/mol.
Where can I buy ChemDiv1_004840?
You can request a quote for ChemDiv1_004840 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004840?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004840 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.