RefChem:464053
TL;DR: RefChem:464053 (CAS 476483-84-8) is a chemical compound with molecular formula C23H22N4O3S and molecular weight 434.14 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)-1-(2-methyl-5-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: 2-Amino-4-(2,5-dimethylthiophen-3-yl)-1-(2-methyl-5-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-AMINO-4-(2,5-DIMETHYL-3-THIENYL)-1-(2-METHYL-5-NITROPHENYL)-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE, 2-amino-4-(2,5-dimethylthiophen-3-yl)-1-(2-methyl-5-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile, 647-809-0
| Molecular Formula | C23H22N4O3S |
|---|---|
| Molecular Weight | 434.14 g/mol |
| LogP | 4.88634 |
| Topological Polar Surface Area | 113.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 434.14127 |
| Heavy Atoms | 31 |
| Complexity | 1231.9316 |
Chemical Identifiers
| CAS Number | 476483-84-8 |
|---|---|
| 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)CCC3 |
Product Overview
RefChem:464053 (CAS 476483-84-8), with molecular formula C23H22N4O3S and molecular weight 434.14 g/mol. IUPAC: 2-amino-4-(2,5-dimethylthiophen-3-yl)-1-(2-methyl-5-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of RefChem:464053
Property Insights of RefChem:464053
The XLogP value of 4.88634 indicates that RefChem:464053 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 RefChem:464053. Following Lipinski's Rule of Five, RefChem:464053 has 1 hydrogen bond donor(s) and 7 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:464053?
The CAS number of RefChem:464053 is 476483-84-8.
What is the molecular formula of RefChem:464053?
The molecular formula of RefChem:464053 is C23H22N4O3S.
What is the molecular weight of RefChem:464053?
The molecular weight of RefChem:464053 is 434.14 g/mol.
Where can I buy RefChem:464053?
You can request a quote for RefChem:464053 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:464053?
Yes, KEHONG BIO provides custom synthesis services for RefChem:464053 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.