![4-methoxy-N-(2-{4-methyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)benzamide structure](/static/products/7142/714282-14-1.webp)
4-methoxy-N-(2-{4-methyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)benzamide
TL;DR: 4-methoxy-N-(2-{4-methyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)benzamide (CAS 714282-14-1) is a chemical compound with molecular formula C22H22F3N5O3S and molecular weight 493.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-N-[2-[4-methyl-5-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide
Also Known As: 4-methoxy-N-(2-{4-methyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)benzamide, 4-methoxy-N-[2-[4-methyl-5-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide
| Molecular Formula | C22H22F3N5O3S |
|---|---|
| Molecular Weight | 493.14 g/mol |
| LogP | 3.5458 |
| Topological Polar Surface Area | 98.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 493.13956 |
| Heavy Atoms | 34 |
| Complexity | 1149.432 |
Chemical Identifiers
| CAS Number | 714282-14-1 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(F)(F)F)CCNC(=O)C3=CC=C(C=C3)OC |
Product Overview
4-methoxy-N-(2-{4-methyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)benzamide (CAS 714282-14-1), with molecular formula C22H22F3N5O3S and molecular weight 493.14 g/mol. IUPAC: 4-methoxy-N-[2-[4-methyl-5-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide.
Chemical Property Profile of 4-methoxy-N-(2-{4-methyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)benzamide
Property Insights of 4-methoxy-N-(2-{4-methyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)benzamide
The XLogP value of 3.5458 indicates that 4-methoxy-N-(2-{4-methyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)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-(2-{4-methyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}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-{[3-(trifluoromethyl)phenyl]amino}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-{[3-(trifluoromethyl)phenyl]amino}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-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)benzamide is 714282-14-1.
What is the molecular formula of 4-methoxy-N-(2-{4-methyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}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-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)benzamide is C22H22F3N5O3S.
What is the molecular weight of 4-methoxy-N-(2-{4-methyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}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-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}ethyl)benzamide is 493.14 g/mol.
Where can I buy 4-methoxy-N-(2-{4-methyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}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-{[3-(trifluoromethyl)phenyl]amino}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-{[3-(trifluoromethyl)phenyl]amino}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-{[3-(trifluoromethyl)phenyl]amino}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.