ChemDiv1_017501
TL;DR: ChemDiv1_017501 (CAS 434919-80-9) is a chemical compound with molecular formula C25H28N4O6S and molecular weight 512.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[6-[methyl-(3-methylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carbonyl]piperazine-1-carboxylate
Also Known As: ChemDiv1_017501, Ethyl 4-[[1,4-dihydro-6-[[methyl(3-methylphenyl)amino]sulfonyl]-4-oxo-3-quinolinyl]carbonyl]-1-piperazinecarboxylate, ethyl 4-[6-[methyl-(3-methylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carbonyl]piperazine-1-carboxylate, 4-[[6-[methyl-(3-methylphenyl)sulfamoyl]-4-oxo-1H-quinolin-3-yl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester, 4-[4-keto-6-[methyl(m-tolyl)sulfamoyl]-1H-quinoline-3-carbonyl]piperazine-1-carboxylic acid ethyl ester
| Molecular Formula | C25H28N4O6S |
|---|---|
| Molecular Weight | 512.17 g/mol |
| LogP | 2.57592 |
| Topological Polar Surface Area | 120.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 512.173 |
| Heavy Atoms | 36 |
| Complexity | 1475.393 |
Chemical Identifiers
| CAS Number | 434919-80-9 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=O)C2=CNC3=C(C2=O)C=C(C=C3)S(=O)(=O)N(C)C4=CC=CC(=C4)C |
Product Overview
ChemDiv1_017501 (CAS 434919-80-9), with molecular formula C25H28N4O6S and molecular weight 512.17 g/mol. IUPAC: ethyl 4-[6-[methyl-(3-methylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carbonyl]piperazine-1-carboxylate.
Chemical Property Profile of ChemDiv1_017501
Property Insights of ChemDiv1_017501
The XLogP value of 2.57592 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_017501. The TPSA of 120.09 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_017501. Following Lipinski's Rule of Five, ChemDiv1_017501 has 1 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_017501?
The CAS number of ChemDiv1_017501 is 434919-80-9.
What is the molecular formula of ChemDiv1_017501?
The molecular formula of ChemDiv1_017501 is C25H28N4O6S.
What is the molecular weight of ChemDiv1_017501?
The molecular weight of ChemDiv1_017501 is 512.17 g/mol.
Where can I buy ChemDiv1_017501?
You can request a quote for ChemDiv1_017501 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_017501?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_017501 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.