ChemDiv1_007780
TL;DR: ChemDiv1_007780 (CAS 406724-00-3) is a chemical compound with molecular formula C29H27ClN4O2 and molecular weight 498.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-3-[3-[4-(dimethylamino)phenyl]-2-propanoyl-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one
Also Known As: ChemDiv1_007780, (3E)-6-chloro-3-[5-(4-dimethylaminophenyl)-1-propanoylpyrazolidin-3-ylidene]-4-phenylquinolin-2-one, (3Z)-6-chloro-3-[5-(4-dimethylaminophenyl)-1-propanoylpyrazolidin-3-ylidene]-4-phenylquinolin-2-one, 1-{3-(6-chloro-2-hydroxy-4-phenylquinolin-3-yl)-5-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyrazol-1-yl}propan-1-one, 6-chloro-3-(5-(4-(dimethylamino)phenyl)-1-propionyl-4,5-dihydro-1H-pyrazol-3-yl)-4-phenylquinolin-2(1H)-one
| Molecular Formula | C29H27ClN4O2 |
|---|---|
| Molecular Weight | 498.18 g/mol |
| LogP | 6.0022 |
| Topological Polar Surface Area | 68.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 498.18225 |
| Heavy Atoms | 36 |
| Complexity | 1525.2046 |
Chemical Identifiers
| CAS Number | 406724-00-3 |
|---|---|
| SMILES | CCC(=O)N1C(CC(=N1)C2=C(C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC=C4)C5=CC=C(C=C5)N(C)C |
Product Overview
ChemDiv1_007780 (CAS 406724-00-3), with molecular formula C29H27ClN4O2 and molecular weight 498.18 g/mol. IUPAC: 6-chloro-3-[3-[4-(dimethylamino)phenyl]-2-propanoyl-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one.
Chemical Property Profile of ChemDiv1_007780
Property Insights of ChemDiv1_007780
The XLogP value of 6.0022 indicates that ChemDiv1_007780 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.77 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_007780. Following Lipinski's Rule of Five, ChemDiv1_007780 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_007780?
The CAS number of ChemDiv1_007780 is 406724-00-3.
What is the molecular formula of ChemDiv1_007780?
The molecular formula of ChemDiv1_007780 is C29H27ClN4O2.
What is the molecular weight of ChemDiv1_007780?
The molecular weight of ChemDiv1_007780 is 498.18 g/mol.
Where can I buy ChemDiv1_007780?
You can request a quote for ChemDiv1_007780 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_007780?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_007780 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.