ChemDiv1_009399
TL;DR: ChemDiv1_009399 (CAS 441783-41-1) 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.
2-amino-4-(2,5-dimethylthiophen-3-yl)-7,7-dimethyl-1-(2-methyl-5-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
Also Known As: ChemDiv1_009399, 2-Amino-4-(2,5-dimethylthiophen-3-yl)-7,7-dimethyl-1-(2-methyl-5-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-amino-4-(2,5-dimethyl-3-thienyl)-7,7-dimethyl-1-(2-methyl-5-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, 2-amino-4-(2,5-dimethylthiophen-3-yl)-7,7-dimethyl-1-(2-methyl-5-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile, 647-805-9
| Molecular Formula | C25H26N4O3S |
|---|---|
| Molecular Weight | 462.17 g/mol |
| LogP | 5.52244 |
| Topological Polar Surface Area | 113.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 462.17258 |
| Heavy Atoms | 33 |
| Complexity | 1309.3898 |
Chemical Identifiers
| CAS Number | 441783-41-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)[N+](=O)[O-])N2C3=C(C(C(=C2N)C#N)C4=C(SC(=C4)C)C)C(=O)CC(C3)(C)C |
Product Overview
ChemDiv1_009399 (CAS 441783-41-1), with molecular formula C25H26N4O3S and molecular weight 462.17 g/mol. IUPAC: 2-amino-4-(2,5-dimethylthiophen-3-yl)-7,7-dimethyl-1-(2-methyl-5-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile.
Chemical Property Profile of ChemDiv1_009399
Property Insights of ChemDiv1_009399
The XLogP value of 5.52244 indicates that ChemDiv1_009399 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.26 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_009399. Following Lipinski's Rule of Five, ChemDiv1_009399 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_009399?
The CAS number of ChemDiv1_009399 is 441783-41-1.
What is the molecular formula of ChemDiv1_009399?
The molecular formula of ChemDiv1_009399 is C25H26N4O3S.
What is the molecular weight of ChemDiv1_009399?
The molecular weight of ChemDiv1_009399 is 462.17 g/mol.
Where can I buy ChemDiv1_009399?
You can request a quote for ChemDiv1_009399 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009399?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009399 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.