N-(5-bromopyridin-2-yl)-2,7,7-trimethyl-4-(4-methylsulfanylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
TL;DR: N-(5-bromopyridin-2-yl)-2,7,7-trimethyl-4-(4-methylsulfanylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide (CAS 515829-77-3) is a chemical compound with molecular formula C25H26BrN3O2S and molecular weight 511.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-bromo-2-pyridinyl)-2,7,7-trimethyl-4-(4-methylsulfanylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
Also Known As: N-(5-bromopyridin-2-yl)-2,7,7-trimethyl-4-(4-methylsulfanylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide, N-(5-bromo-2-pyridinyl)-2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide, N-(5-BROMO-2-PYRIDYL)-2,7,7-TRIMETHYL-4-[4-(METHYLSULFANYL)PHENYL]-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBOXAMIDE, N-(5-bromopyridin-2-yl)-2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
| Molecular Formula | C25H26BrN3O2S |
|---|---|
| Molecular Weight | 511.09 g/mol |
| LogP | 5.8087 |
| Topological Polar Surface Area | 71.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 511.0929 |
| Heavy Atoms | 32 |
| Complexity | 1134.782 |
Chemical Identifiers
| CAS Number | 515829-77-3 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)SC)C(=O)NC4=NC=C(C=C4)Br |
Product Overview
N-(5-bromopyridin-2-yl)-2,7,7-trimethyl-4-(4-methylsulfanylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide (CAS 515829-77-3), with molecular formula C25H26BrN3O2S and molecular weight 511.09 g/mol. IUPAC: N-(5-bromo-2-pyridinyl)-2,7,7-trimethyl-4-(4-methylsulfanylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide.
Chemical Property Profile of N-(5-bromopyridin-2-yl)-2,7,7-trimethyl-4-(4-methylsulfanylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
Property Insights of N-(5-bromopyridin-2-yl)-2,7,7-trimethyl-4-(4-methylsulfanylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
The XLogP value of 5.8087 indicates that N-(5-bromopyridin-2-yl)-2,7,7-trimethyl-4-(4-methylsulfanylphenyl)-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 N-(5-bromopyridin-2-yl)-2,7,7-trimethyl-4-(4-methylsulfanylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide. Following Lipinski's Rule of Five, N-(5-bromopyridin-2-yl)-2,7,7-trimethyl-4-(4-methylsulfanylphenyl)-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 N-(5-bromopyridin-2-yl)-2,7,7-trimethyl-4-(4-methylsulfanylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide?
The CAS number of N-(5-bromopyridin-2-yl)-2,7,7-trimethyl-4-(4-methylsulfanylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide is 515829-77-3.
What is the molecular formula of N-(5-bromopyridin-2-yl)-2,7,7-trimethyl-4-(4-methylsulfanylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide?
The molecular formula of N-(5-bromopyridin-2-yl)-2,7,7-trimethyl-4-(4-methylsulfanylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide is C25H26BrN3O2S.
What is the molecular weight of N-(5-bromopyridin-2-yl)-2,7,7-trimethyl-4-(4-methylsulfanylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide?
The molecular weight of N-(5-bromopyridin-2-yl)-2,7,7-trimethyl-4-(4-methylsulfanylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide is 511.09 g/mol.
Where can I buy N-(5-bromopyridin-2-yl)-2,7,7-trimethyl-4-(4-methylsulfanylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide?
You can request a quote for N-(5-bromopyridin-2-yl)-2,7,7-trimethyl-4-(4-methylsulfanylphenyl)-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 N-(5-bromopyridin-2-yl)-2,7,7-trimethyl-4-(4-methylsulfanylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-bromopyridin-2-yl)-2,7,7-trimethyl-4-(4-methylsulfanylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.