2,7,7-trimethyl-4-(4-methylsulfanylphenyl)-5-oxo-N-pyridin-2-yl-1,4,6,8-tetrahydroquinoline-3-carboxamide
TL;DR: 2,7,7-trimethyl-4-(4-methylsulfanylphenyl)-5-oxo-N-pyridin-2-yl-1,4,6,8-tetrahydroquinoline-3-carboxamide (CAS 496017-38-0) is a chemical compound with molecular formula C25H27N3O2S and molecular weight 433.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,7,7-trimethyl-4-(4-methylsulfanylphenyl)-5-oxo-N-pyridin-2-yl-1,4,6,8-tetrahydroquinoline-3-carboxamide
Also Known As: 2,7,7-trimethyl-4-(4-methylsulfanylphenyl)-5-oxo-N-pyridin-2-yl-1,4,6,8-tetrahydroquinoline-3-carboxamide, 2,7,7-TRIMETHYL-4-[4-(METHYLSULFANYL)PHENYL]-5-OXO-N-(2-PYRIDINYL)-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBOXAMIDE, 2,7,7-TRIMETHYL-4-[4-(METHYLSULFANYL)PHENYL]-5-OXO-N-(2-PYRIDYL)-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBOXAMIDE, 2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-N-(pyridin-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide, 2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-N-pyridin-2-yl-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
| Molecular Formula | C25H27N3O2S |
|---|---|
| Molecular Weight | 433.18 g/mol |
| LogP | 5.0462 |
| Topological Polar Surface Area | 71.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 433.1824 |
| Heavy Atoms | 31 |
| Complexity | 1085.51 |
Chemical Identifiers
| CAS Number | 496017-38-0 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)SC)C(=O)NC4=CC=CC=N4 |
Product Overview
2,7,7-trimethyl-4-(4-methylsulfanylphenyl)-5-oxo-N-pyridin-2-yl-1,4,6,8-tetrahydroquinoline-3-carboxamide (CAS 496017-38-0), with molecular formula C25H27N3O2S and molecular weight 433.18 g/mol. IUPAC: 2,7,7-trimethyl-4-(4-methylsulfanylphenyl)-5-oxo-N-pyridin-2-yl-1,4,6,8-tetrahydroquinoline-3-carboxamide.
Chemical Property Profile of 2,7,7-trimethyl-4-(4-methylsulfanylphenyl)-5-oxo-N-pyridin-2-yl-1,4,6,8-tetrahydroquinoline-3-carboxamide
Property Insights of 2,7,7-trimethyl-4-(4-methylsulfanylphenyl)-5-oxo-N-pyridin-2-yl-1,4,6,8-tetrahydroquinoline-3-carboxamide
The XLogP value of 5.0462 indicates that 2,7,7-trimethyl-4-(4-methylsulfanylphenyl)-5-oxo-N-pyridin-2-yl-1,4,6,8-tetrahydroquinoline-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,7,7-trimethyl-4-(4-methylsulfanylphenyl)-5-oxo-N-pyridin-2-yl-1,4,6,8-tetrahydroquinoline-3-carboxamide. Following Lipinski's Rule of Five, 2,7,7-trimethyl-4-(4-methylsulfanylphenyl)-5-oxo-N-pyridin-2-yl-1,4,6,8-tetrahydroquinoline-3-carboxamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,7,7-trimethyl-4-(4-methylsulfanylphenyl)-5-oxo-N-pyridin-2-yl-1,4,6,8-tetrahydroquinoline-3-carboxamide?
The CAS number of 2,7,7-trimethyl-4-(4-methylsulfanylphenyl)-5-oxo-N-pyridin-2-yl-1,4,6,8-tetrahydroquinoline-3-carboxamide is 496017-38-0.
What is the molecular formula of 2,7,7-trimethyl-4-(4-methylsulfanylphenyl)-5-oxo-N-pyridin-2-yl-1,4,6,8-tetrahydroquinoline-3-carboxamide?
The molecular formula of 2,7,7-trimethyl-4-(4-methylsulfanylphenyl)-5-oxo-N-pyridin-2-yl-1,4,6,8-tetrahydroquinoline-3-carboxamide is C25H27N3O2S.
What is the molecular weight of 2,7,7-trimethyl-4-(4-methylsulfanylphenyl)-5-oxo-N-pyridin-2-yl-1,4,6,8-tetrahydroquinoline-3-carboxamide?
The molecular weight of 2,7,7-trimethyl-4-(4-methylsulfanylphenyl)-5-oxo-N-pyridin-2-yl-1,4,6,8-tetrahydroquinoline-3-carboxamide is 433.18 g/mol.
Where can I buy 2,7,7-trimethyl-4-(4-methylsulfanylphenyl)-5-oxo-N-pyridin-2-yl-1,4,6,8-tetrahydroquinoline-3-carboxamide?
You can request a quote for 2,7,7-trimethyl-4-(4-methylsulfanylphenyl)-5-oxo-N-pyridin-2-yl-1,4,6,8-tetrahydroquinoline-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,7,7-trimethyl-4-(4-methylsulfanylphenyl)-5-oxo-N-pyridin-2-yl-1,4,6,8-tetrahydroquinoline-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2,7,7-trimethyl-4-(4-methylsulfanylphenyl)-5-oxo-N-pyridin-2-yl-1,4,6,8-tetrahydroquinoline-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.