![4-methoxy-N-[2-(4-methyl-5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]benzamide structure](/static/products/7178/717861-73-9.webp)
4-methoxy-N-[2-(4-methyl-5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]benzamide
TL;DR: 4-methoxy-N-[2-(4-methyl-5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]benzamide (CAS 717861-73-9) is a chemical compound with molecular formula C21H23N5O3S and molecular weight 425.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[5-(2-anilino-2-oxoethyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]-4-methoxybenzamide
Also Known As: 4-methoxy-N-[2-(4-methyl-5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]benzamide, N-[2-[5-(2-anilino-2-oxoethyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]-4-methoxybenzamide, N-(2-{5-[(2-anilino-2-oxoethyl)thio]-4-methyl-4H-1,2,4-triazol-3-yl}ethyl)-4-methoxybenzamide
| Molecular Formula | C21H23N5O3S |
|---|---|
| Molecular Weight | 425.15 g/mol |
| LogP | 2.527 |
| Topological Polar Surface Area | 98.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 425.15216 |
| Heavy Atoms | 30 |
| Complexity | 989.6362 |
Chemical Identifiers
| CAS Number | 717861-73-9 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)CCNC(=O)C3=CC=C(C=C3)OC |
Product Overview
4-methoxy-N-[2-(4-methyl-5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]benzamide (CAS 717861-73-9), with molecular formula C21H23N5O3S and molecular weight 425.15 g/mol. IUPAC: N-[2-[5-(2-anilino-2-oxoethyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]-4-methoxybenzamide.
Chemical Property Profile of 4-methoxy-N-[2-(4-methyl-5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]benzamide
Property Insights of 4-methoxy-N-[2-(4-methyl-5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]benzamide
The XLogP value of 2.527 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methoxy-N-[2-(4-methyl-5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]benzamide. The TPSA of 98.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methoxy-N-[2-(4-methyl-5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]benzamide. Following Lipinski's Rule of Five, 4-methoxy-N-[2-(4-methyl-5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]benzamide has 2 hydrogen bond donor(s) and 6 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-[2-(4-methyl-5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]benzamide?
The CAS number of 4-methoxy-N-[2-(4-methyl-5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]benzamide is 717861-73-9.
What is the molecular formula of 4-methoxy-N-[2-(4-methyl-5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]benzamide?
The molecular formula of 4-methoxy-N-[2-(4-methyl-5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]benzamide is C21H23N5O3S.
What is the molecular weight of 4-methoxy-N-[2-(4-methyl-5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]benzamide?
The molecular weight of 4-methoxy-N-[2-(4-methyl-5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]benzamide is 425.15 g/mol.
Where can I buy 4-methoxy-N-[2-(4-methyl-5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]benzamide?
You can request a quote for 4-methoxy-N-[2-(4-methyl-5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]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-[2-(4-methyl-5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-methoxy-N-[2-(4-methyl-5-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.