![4-methoxy-N-({5-[(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}methyl)benzamide structure](/static/products/7089/708995-32-8.webp)
4-methoxy-N-({5-[(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}methyl)benzamide
TL;DR: 4-methoxy-N-({5-[(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}methyl)benzamide (CAS 708995-32-8) is a chemical compound with molecular formula C23H25N5O3S2 and molecular weight 483.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-N-[[5-[2-(3-methylsulfanylanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide
Also Known As: 4-methoxy-N-({5-[(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}methyl)benzamide, 4-methoxy-N-[[5-[2-(3-methylsulfanylanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide
| Molecular Formula | C23H25N5O3S2 |
|---|---|
| Molecular Weight | 483.14 g/mol |
| LogP | 3.8554 |
| Topological Polar Surface Area | 98.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 483.1399 |
| Heavy Atoms | 33 |
| Complexity | 1115.5396 |
Chemical Identifiers
| CAS Number | 708995-32-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2CC=C)SCC(=O)NC3=CC(=CC=C3)SC |
Product Overview
4-methoxy-N-({5-[(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}methyl)benzamide (CAS 708995-32-8), with molecular formula C23H25N5O3S2 and molecular weight 483.14 g/mol. IUPAC: 4-methoxy-N-[[5-[2-(3-methylsulfanylanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide.
Chemical Property Profile of 4-methoxy-N-({5-[(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}methyl)benzamide
Property Insights of 4-methoxy-N-({5-[(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}methyl)benzamide
The XLogP value of 3.8554 indicates that 4-methoxy-N-({5-[(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4-(prop-2-en-1-yl)-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 98.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methoxy-N-({5-[(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}methyl)benzamide. Following Lipinski's Rule of Five, 4-methoxy-N-({5-[(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}methyl)benzamide has 2 hydrogen bond donor(s) and 7 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 4-methoxy-N-({5-[(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}methyl)benzamide?
The CAS number of 4-methoxy-N-({5-[(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}methyl)benzamide is 708995-32-8.
What is the molecular formula of 4-methoxy-N-({5-[(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}methyl)benzamide?
The molecular formula of 4-methoxy-N-({5-[(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}methyl)benzamide is C23H25N5O3S2.
What is the molecular weight of 4-methoxy-N-({5-[(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}methyl)benzamide?
The molecular weight of 4-methoxy-N-({5-[(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}methyl)benzamide is 483.14 g/mol.
Where can I buy 4-methoxy-N-({5-[(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}methyl)benzamide?
You can request a quote for 4-methoxy-N-({5-[(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4-(prop-2-en-1-yl)-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-methoxy-N-({5-[(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}methyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-methoxy-N-({5-[(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}methyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.