RefChem:512140
TL;DR: RefChem:512140 (CAS 445022-64-0) is a chemical compound with molecular formula C25H26N4O3S and molecular weight 462.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-amino-3-cyano-7,7-dimethyl-4-(4-methylphenyl)-5-oxo-6,8-dihydro-4H-quinolin-1-yl]benzenesulfonamide
Also Known As: 4-(2-amino-3-cyano-7,7-dimethyl-4-(4-methylphenyl)-5-oxo-5,6,7,8-tetrahydro-1(4H)-quinolinyl)benzenesulfonamide, 4-(2-Amino-3-cyano-7,7-dimethyl-5-oxo-4-(p-tolyl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl)benzenesulfonamide, 4-[2-amino-3-cyano-7,7-dimethyl-4-(4-methylphenyl)-5-oxo-6,8-dihydro-4H-quinolin-1-yl]benzenesulfonamide, 4-[2-AMINO-3-CYANO-7,7-DIMETHYL-4-(4-METHYLPHENYL)-5-OXO-5,6,7,8-TETRAHYDRO-1(4H)-QUINOLINYL]-1-BENZENESULFONAMIDE, 648-107-7
| Molecular Formula | C25H26N4O3S |
|---|---|
| Molecular Weight | 462.17 g/mol |
| LogP | 3.5833 |
| Topological Polar Surface Area | 130.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 462.17258 |
| Heavy Atoms | 33 |
| Complexity | 1345.8572 |
Chemical Identifiers
| CAS Number | 445022-64-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC=C(C=C4)S(=O)(=O)N)N)C#N |
Product Overview
RefChem:512140 (CAS 445022-64-0), with molecular formula C25H26N4O3S and molecular weight 462.17 g/mol. IUPAC: 4-[2-amino-3-cyano-7,7-dimethyl-4-(4-methylphenyl)-5-oxo-6,8-dihydro-4H-quinolin-1-yl]benzenesulfonamide.
Chemical Property Profile of RefChem:512140
Property Insights of RefChem:512140
The XLogP value of 3.5833 indicates that RefChem:512140 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.28 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:512140. Following Lipinski's Rule of Five, RefChem:512140 has 2 hydrogen bond donor(s) and 6 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 RefChem:512140?
The CAS number of RefChem:512140 is 445022-64-0.
What is the molecular formula of RefChem:512140?
The molecular formula of RefChem:512140 is C25H26N4O3S.
What is the molecular weight of RefChem:512140?
The molecular weight of RefChem:512140 is 462.17 g/mol.
Where can I buy RefChem:512140?
You can request a quote for RefChem:512140 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:512140?
Yes, KEHONG BIO provides custom synthesis services for RefChem:512140 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.