RefChem:464188
TL;DR: RefChem:464188 (CAS 476483-27-9) is a chemical compound with molecular formula C22H20N4O3S2 and molecular weight 452.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(5-methyl-2-methylsulfanylthiophen-3-yl)-1-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: 2-Amino-4-(5-methyl-2-(methylthio)thiophen-3-yl)-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-amino-4-[5-methyl-2-(methylsulfanyl)-3-thienyl]-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, 2-AMINO-4-(5-METHYL-2-(METHYLSULFANYL)-3-THIENYL)-1-(3-NITROPHENYL)-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE, 2-amino-4-(5-methyl-2-methylsulfanylthiophen-3-yl)-1-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-AMINO-4-[5-METHYL-2-(METHYLSULFANYL)THIOPHEN-3-YL]-1-(3-NITROPHENYL)-5-OXO-1,4,5,6,7,8-HEXAHYDROQUINOLINE-3-CARBONITRILE
| Molecular Formula | C22H20N4O3S2 |
|---|---|
| Molecular Weight | 452.10 g/mol |
| LogP | 4.9914 |
| Topological Polar Surface Area | 113.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 452.0977 |
| Heavy Atoms | 31 |
| Complexity | 1205.5785 |
Chemical Identifiers
| CAS Number | 476483-27-9 |
|---|---|
| SMILES | CC1=CC(=C(S1)SC)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC(=CC=C4)[N+](=O)[O-])N)C#N |
Product Overview
RefChem:464188 (CAS 476483-27-9), with molecular formula C22H20N4O3S2 and molecular weight 452.10 g/mol. IUPAC: 2-amino-4-(5-methyl-2-methylsulfanylthiophen-3-yl)-1-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of RefChem:464188
Property Insights of RefChem:464188
The XLogP value of 4.9914 indicates that RefChem:464188 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:464188. Following Lipinski's Rule of Five, RefChem:464188 has 1 hydrogen bond donor(s) and 8 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:464188?
The CAS number of RefChem:464188 is 476483-27-9.
What is the molecular formula of RefChem:464188?
The molecular formula of RefChem:464188 is C22H20N4O3S2.
What is the molecular weight of RefChem:464188?
The molecular weight of RefChem:464188 is 452.10 g/mol.
Where can I buy RefChem:464188?
You can request a quote for RefChem:464188 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:464188?
Yes, KEHONG BIO provides custom synthesis services for RefChem:464188 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.