RefChem:463056
TL;DR: RefChem:463056 (CAS 476483-29-1) is a chemical compound with molecular formula C23H22ClN3OS2 and molecular weight 455.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1-(3-chloro-4-methylphenyl)-4-(2-ethylsulfanylthiophen-3-yl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: 2-Amino-1-(3-chloro-4-methylphenyl)-4-(2-(ethylthio)thiophen-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-AMINO-1-(3-CHLORO-4-METHYLPHENYL)-4-[2-(ETHYLSULFANYL)-3-THIENYL]-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE, 2-AMINO-1-(3-CHLORO-4-METHYLPHENYL)-4-(2-(ETHYLSULFANYL)-3-THIENYL)-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE, 2-amino-1-(3-chloro-4-methylphenyl)-4-(2-ethylsulfanylthiophen-3-yl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-AMINO-1-(3-CHLORO-4-METHYLPHENYL)-4-[2-(ETHYLSULFANYL)THIOPHEN-3-YL]-5-OXO-1,4,5,6,7,8-HEXAHYDROQUINOLINE-3-CARBONITRILE
| Molecular Formula | C23H22ClN3OS2 |
|---|---|
| Molecular Weight | 455.09 g/mol |
| LogP | 6.1267 |
| Topological Polar Surface Area | 70.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 455.0893 |
| Heavy Atoms | 30 |
| Complexity | 1125.7083 |
Chemical Identifiers
| CAS Number | 476483-29-1 |
|---|---|
| SMILES | CCSC1=C(C=CS1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC(=C(C=C4)C)Cl)N)C#N |
Product Overview
RefChem:463056 (CAS 476483-29-1), with molecular formula C23H22ClN3OS2 and molecular weight 455.09 g/mol. IUPAC: 2-amino-1-(3-chloro-4-methylphenyl)-4-(2-ethylsulfanylthiophen-3-yl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of RefChem:463056
Property Insights of RefChem:463056
The XLogP value of 6.1267 indicates that RefChem:463056 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.12 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:463056. Following Lipinski's Rule of Five, RefChem:463056 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 RefChem:463056?
The CAS number of RefChem:463056 is 476483-29-1.
What is the molecular formula of RefChem:463056?
The molecular formula of RefChem:463056 is C23H22ClN3OS2.
What is the molecular weight of RefChem:463056?
The molecular weight of RefChem:463056 is 455.09 g/mol.
Where can I buy RefChem:463056?
You can request a quote for RefChem:463056 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:463056?
Yes, KEHONG BIO provides custom synthesis services for RefChem:463056 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.