![3,4-dimethoxy-N-({4-methyl-5-[(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide structure](/static/products/6944/694462-44-7.webp)
3,4-dimethoxy-N-({4-methyl-5-[(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide
TL;DR: 3,4-dimethoxy-N-({4-methyl-5-[(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide (CAS 694462-44-7) is a chemical compound with molecular formula C22H25N5O4S2 and molecular weight 487.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimethoxy-N-[[4-methyl-5-[2-(3-methylsulfanylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide
Also Known As: 3,4-dimethoxy-N-({4-methyl-5-[(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide, 3,4-dimethoxy-N-[[4-methyl-5-[2-(3-methylsulfanylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide, 3,4-DIMETHOXY-N-({4-METHYL-5-[({[3-(METHYLSULFANYL)PHENYL]CARBAMOYL}METHYL)SULFANYL]-1,2,4-TRIAZOL-3-YL}METHYL)BENZAMIDE
| Molecular Formula | C22H25N5O4S2 |
|---|---|
| Molecular Weight | 487.13 g/mol |
| LogP | 3.215 |
| Topological Polar Surface Area | 107.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 487.1348 |
| Heavy Atoms | 33 |
| Complexity | 1135.724 |
Chemical Identifiers
| CAS Number | 694462-44-7 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)SC)CNC(=O)C3=CC(=C(C=C3)OC)OC |
Product Overview
3,4-dimethoxy-N-({4-methyl-5-[(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide (CAS 694462-44-7), with molecular formula C22H25N5O4S2 and molecular weight 487.13 g/mol. IUPAC: 3,4-dimethoxy-N-[[4-methyl-5-[2-(3-methylsulfanylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide.
Chemical Property Profile of 3,4-dimethoxy-N-({4-methyl-5-[(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide
Property Insights of 3,4-dimethoxy-N-({4-methyl-5-[(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide
The XLogP value of 3.215 indicates that 3,4-dimethoxy-N-({4-methyl-5-[(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)sulfanyl]-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 107.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-dimethoxy-N-({4-methyl-5-[(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide. Following Lipinski's Rule of Five, 3,4-dimethoxy-N-({4-methyl-5-[(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,4-dimethoxy-N-({4-methyl-5-[(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide?
The CAS number of 3,4-dimethoxy-N-({4-methyl-5-[(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide is 694462-44-7.
What is the molecular formula of 3,4-dimethoxy-N-({4-methyl-5-[(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide?
The molecular formula of 3,4-dimethoxy-N-({4-methyl-5-[(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide is C22H25N5O4S2.
What is the molecular weight of 3,4-dimethoxy-N-({4-methyl-5-[(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide?
The molecular weight of 3,4-dimethoxy-N-({4-methyl-5-[(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide is 487.13 g/mol.
Where can I buy 3,4-dimethoxy-N-({4-methyl-5-[(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide?
You can request a quote for 3,4-dimethoxy-N-({4-methyl-5-[(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)sulfanyl]-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 3,4-dimethoxy-N-({4-methyl-5-[(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dimethoxy-N-({4-methyl-5-[(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.