RefChem:462979
TL;DR: RefChem:462979 (CAS 476483-47-3) is a chemical compound with molecular formula C24H23F2N3OS2 and molecular weight 471.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1-(2,6-difluorophenyl)-4-(2-ethylsulfanylthiophen-3-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
Also Known As: 2-amino-1-(2,6-difluorophenyl)-4-[2-(ethylsulfanyl)-3-thienyl]-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, 2-AMINO-1-(2,6-DIFLUOROPHENYL)-4-(2-(ETHYLSULFANYL)-3-THIENYL)-7,7-DIMETHYL-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE, 2-Amino-1-(2,6-difluorophenyl)-4-(2-(ethylthio)thiophen-3-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-amino-1-(2,6-difluorophenyl)-4-(2-ethylsulfanylthiophen-3-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile, 2-AMINO-1-(2,6-DIFLUOROPHENYL)-4-[2-(ETHYLSULFANYL)THIOPHEN-3-YL]-7,7-DIMETHYL-5-OXO-1,4,5,6,7,8-HEXAHYDROQUINOLINE-3-CARBONITRILE
| Molecular Formula | C24H23F2N3OS2 |
|---|---|
| Molecular Weight | 471.13 g/mol |
| LogP | 6.07918 |
| Topological Polar Surface Area | 70.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 471.12506 |
| Heavy Atoms | 32 |
| Complexity | 1185.8168 |
Chemical Identifiers
| CAS Number | 476483-47-3 |
|---|---|
| SMILES | CCSC1=C(C=CS1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=C(C=CC=C4F)F)N)C#N |
Product Overview
RefChem:462979 (CAS 476483-47-3), with molecular formula C24H23F2N3OS2 and molecular weight 471.13 g/mol. IUPAC: 2-amino-1-(2,6-difluorophenyl)-4-(2-ethylsulfanylthiophen-3-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile.
Chemical Property Profile of RefChem:462979
Property Insights of RefChem:462979
The XLogP value of 6.07918 indicates that RefChem:462979 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:462979. Following Lipinski's Rule of Five, RefChem:462979 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:462979?
The CAS number of RefChem:462979 is 476483-47-3.
What is the molecular formula of RefChem:462979?
The molecular formula of RefChem:462979 is C24H23F2N3OS2.
What is the molecular weight of RefChem:462979?
The molecular weight of RefChem:462979 is 471.13 g/mol.
Where can I buy RefChem:462979?
You can request a quote for RefChem:462979 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:462979?
Yes, KEHONG BIO provides custom synthesis services for RefChem:462979 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.