4-butoxy-N-((5-((2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl)thio)-4-(2,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl)benzamide
TL;DR: 4-butoxy-N-((5-((2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl)thio)-4-(2,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl)benzamide (CAS 394229-16-4) is a chemical compound with molecular formula C33H37N5O5S and molecular weight 615.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butoxy-N-[[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-4-(2,5-dimethoxyphenyl)-1,2,4-triazol-3-yl]methyl]benzamide
Also Known As: 4-butoxy-N-((5-((2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl)thio)-4-(2,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl)benzamide, F0772-0468, 4-butoxy-N-[[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-4-(2,5-dimethoxyphenyl)-1,2,4-triazol-3-yl]methyl]benzamide, 4-butoxy-N-{[4-(2,5-dimethoxyphenyl)-5-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}benzamide
| Molecular Formula | C33H37N5O5S |
|---|---|
| Molecular Weight | 615.25 g/mol |
| LogP | 5.4649 |
| Topological Polar Surface Area | 107.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 615.2515 |
| Heavy Atoms | 44 |
| Complexity | 1589.9424 |
Chemical Identifiers
| CAS Number | 394229-16-4 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3=C(C=CC(=C3)OC)OC)SCC(=O)N4CCCC5=CC=CC=C54 |
Product Overview
4-butoxy-N-((5-((2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl)thio)-4-(2,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl)benzamide (CAS 394229-16-4), with molecular formula C33H37N5O5S and molecular weight 615.25 g/mol. IUPAC: 4-butoxy-N-[[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-4-(2,5-dimethoxyphenyl)-1,2,4-triazol-3-yl]methyl]benzamide.
Chemical Property Profile of 4-butoxy-N-((5-((2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl)thio)-4-(2,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl)benzamide
Property Insights of 4-butoxy-N-((5-((2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl)thio)-4-(2,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl)benzamide
The XLogP value of 5.4649 indicates that 4-butoxy-N-((5-((2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl)thio)-4-(2,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-butoxy-N-((5-((2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl)thio)-4-(2,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl)benzamide. Following Lipinski's Rule of Five, 4-butoxy-N-((5-((2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl)thio)-4-(2,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl)benzamide has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-butoxy-N-((5-((2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl)thio)-4-(2,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl)benzamide?
The CAS number of 4-butoxy-N-((5-((2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl)thio)-4-(2,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl)benzamide is 394229-16-4.
What is the molecular formula of 4-butoxy-N-((5-((2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl)thio)-4-(2,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl)benzamide?
The molecular formula of 4-butoxy-N-((5-((2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl)thio)-4-(2,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl)benzamide is C33H37N5O5S.
What is the molecular weight of 4-butoxy-N-((5-((2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl)thio)-4-(2,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl)benzamide?
The molecular weight of 4-butoxy-N-((5-((2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl)thio)-4-(2,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl)benzamide is 615.25 g/mol.
Where can I buy 4-butoxy-N-((5-((2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl)thio)-4-(2,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl)benzamide?
You can request a quote for 4-butoxy-N-((5-((2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl)thio)-4-(2,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-butoxy-N-((5-((2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl)thio)-4-(2,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-butoxy-N-((5-((2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl)thio)-4-(2,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.