2,7,7-trimethyl-N-(5-methylpyridin-2-yl)-4-(3-methylthiophen-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
TL;DR: 2,7,7-trimethyl-N-(5-methylpyridin-2-yl)-4-(3-methylthiophen-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide (CAS 445018-13-3) is a chemical compound with molecular formula C24H27N3O2S and molecular weight 421.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,7,7-trimethyl-N-(5-methyl-2-pyridinyl)-4-(3-methylthiophen-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
Also Known As: 2,7,7-trimethyl-N-(5-methylpyridin-2-yl)-4-(3-methylthiophen-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide, 2,7,7-trimethyl-N-(5-methyl-2-pyridinyl)-4-(3-methyl-2-thienyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide, 2,7,7-TRIMETHYL-N-(5-METHYL-2-PYRIDYL)-4-(3-METHYL-2-THIENYL)-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBOXAMIDE, 2,7,7-trimethyl-N-(5-methylpyridin-2-yl)-4-(3-methylthien-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide, 2,7,7-trimethyl-N-(5-methylpyridin-2-yl)-4-(3-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
| Molecular Formula | C24H27N3O2S |
|---|---|
| Molecular Weight | 421.18 g/mol |
| LogP | 5.00264 |
| Topological Polar Surface Area | 71.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 421.1824 |
| Heavy Atoms | 30 |
| Complexity | 1089.9093 |
Chemical Identifiers
| CAS Number | 445018-13-3 |
|---|---|
| SMILES | CC1=CN=C(C=C1)NC(=O)C2=C(NC3=C(C2C4=C(C=CS4)C)C(=O)CC(C3)(C)C)C |
Product Overview
2,7,7-trimethyl-N-(5-methylpyridin-2-yl)-4-(3-methylthiophen-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide (CAS 445018-13-3), with molecular formula C24H27N3O2S and molecular weight 421.18 g/mol. IUPAC: 2,7,7-trimethyl-N-(5-methyl-2-pyridinyl)-4-(3-methylthiophen-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide.
Chemical Property Profile of 2,7,7-trimethyl-N-(5-methylpyridin-2-yl)-4-(3-methylthiophen-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
Property Insights of 2,7,7-trimethyl-N-(5-methylpyridin-2-yl)-4-(3-methylthiophen-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
The XLogP value of 5.00264 indicates that 2,7,7-trimethyl-N-(5-methylpyridin-2-yl)-4-(3-methylthiophen-2-yl)-5-oxo-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-N-(5-methylpyridin-2-yl)-4-(3-methylthiophen-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide. Following Lipinski's Rule of Five, 2,7,7-trimethyl-N-(5-methylpyridin-2-yl)-4-(3-methylthiophen-2-yl)-5-oxo-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-N-(5-methylpyridin-2-yl)-4-(3-methylthiophen-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide?
The CAS number of 2,7,7-trimethyl-N-(5-methylpyridin-2-yl)-4-(3-methylthiophen-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide is 445018-13-3.
What is the molecular formula of 2,7,7-trimethyl-N-(5-methylpyridin-2-yl)-4-(3-methylthiophen-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide?
The molecular formula of 2,7,7-trimethyl-N-(5-methylpyridin-2-yl)-4-(3-methylthiophen-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide is C24H27N3O2S.
What is the molecular weight of 2,7,7-trimethyl-N-(5-methylpyridin-2-yl)-4-(3-methylthiophen-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide?
The molecular weight of 2,7,7-trimethyl-N-(5-methylpyridin-2-yl)-4-(3-methylthiophen-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide is 421.18 g/mol.
Where can I buy 2,7,7-trimethyl-N-(5-methylpyridin-2-yl)-4-(3-methylthiophen-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide?
You can request a quote for 2,7,7-trimethyl-N-(5-methylpyridin-2-yl)-4-(3-methylthiophen-2-yl)-5-oxo-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-N-(5-methylpyridin-2-yl)-4-(3-methylthiophen-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2,7,7-trimethyl-N-(5-methylpyridin-2-yl)-4-(3-methylthiophen-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.