![N-(2-methyl-1-{4-methyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}propyl)benzamide structure](/static/products/7130/713098-74-9.webp)
N-(2-methyl-1-{4-methyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}propyl)benzamide
TL;DR: N-(2-methyl-1-{4-methyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}propyl)benzamide (CAS 713098-74-9) is a chemical compound with molecular formula C23H24F3N5O2S and molecular weight 491.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-methyl-1-[4-methyl-5-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]benzamide
Also Known As: N-(2-methyl-1-{4-methyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}propyl)benzamide, N-[2-methyl-1-[4-methyl-5-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]benzamide, N-(2-METHYL-1-{4-METHYL-5-[({[3-(TRIFLUOROMETHYL)PHENYL]CARBAMOYL}METHYL)SULFANYL]-1,2,4-TRIAZOL-3-YL}PROPYL)BENZAMIDE
| Molecular Formula | C23H24F3N5O2S |
|---|---|
| Molecular Weight | 491.16 g/mol |
| LogP | 4.6918 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 491.16028 |
| Heavy Atoms | 34 |
| Complexity | 1149.0074 |
Chemical Identifiers
| CAS Number | 713098-74-9 |
|---|---|
| SMILES | CC(C)C(C1=NN=C(N1C)SCC(=O)NC2=CC=CC(=C2)C(F)(F)F)NC(=O)C3=CC=CC=C3 |
Product Overview
N-(2-methyl-1-{4-methyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}propyl)benzamide (CAS 713098-74-9), with molecular formula C23H24F3N5O2S and molecular weight 491.16 g/mol. IUPAC: N-[2-methyl-1-[4-methyl-5-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]benzamide.
Chemical Property Profile of N-(2-methyl-1-{4-methyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}propyl)benzamide
Property Insights of N-(2-methyl-1-{4-methyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}propyl)benzamide
The XLogP value of 4.6918 indicates that N-(2-methyl-1-{4-methyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}propyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.91 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-methyl-1-{4-methyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}propyl)benzamide. Following Lipinski's Rule of Five, N-(2-methyl-1-{4-methyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}propyl)benzamide has 2 hydrogen bond donor(s) and 5 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 N-(2-methyl-1-{4-methyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}propyl)benzamide?
The CAS number of N-(2-methyl-1-{4-methyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}propyl)benzamide is 713098-74-9.
What is the molecular formula of N-(2-methyl-1-{4-methyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}propyl)benzamide?
The molecular formula of N-(2-methyl-1-{4-methyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}propyl)benzamide is C23H24F3N5O2S.
What is the molecular weight of N-(2-methyl-1-{4-methyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}propyl)benzamide?
The molecular weight of N-(2-methyl-1-{4-methyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}propyl)benzamide is 491.16 g/mol.
Where can I buy N-(2-methyl-1-{4-methyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}propyl)benzamide?
You can request a quote for N-(2-methyl-1-{4-methyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}propyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-methyl-1-{4-methyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}propyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-methyl-1-{4-methyl-5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}propyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.