![2-fluoro-N-({4-methyl-5-[(2-{[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide structure](/static/products/7067/706777-27-7.webp)
2-fluoro-N-({4-methyl-5-[(2-{[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide
TL;DR: 2-fluoro-N-({4-methyl-5-[(2-{[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide (CAS 706777-27-7) is a chemical compound with molecular formula C23H21FN6O2S2 and molecular weight 496.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-fluoro-N-[[4-methyl-5-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide
Also Known As: 2-fluoro-N-({4-methyl-5-[(2-{[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide, 2-fluoro-N-[[4-methyl-5-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide
| Molecular Formula | C23H21FN6O2S2 |
|---|---|
| Molecular Weight | 496.12 g/mol |
| LogP | 4.04692 |
| Topological Polar Surface Area | 101.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 496.11514 |
| Heavy Atoms | 34 |
| Complexity | 1319.2589 |
Chemical Identifiers
| CAS Number | 706777-27-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CSC3=NN=C(N3C)CNC(=O)C4=CC=CC=C4F |
Product Overview
2-fluoro-N-({4-methyl-5-[(2-{[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide (CAS 706777-27-7), with molecular formula C23H21FN6O2S2 and molecular weight 496.12 g/mol. IUPAC: 2-fluoro-N-[[4-methyl-5-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide.
Chemical Property Profile of 2-fluoro-N-({4-methyl-5-[(2-{[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide
Property Insights of 2-fluoro-N-({4-methyl-5-[(2-{[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide
The XLogP value of 4.04692 indicates that 2-fluoro-N-({4-methyl-5-[(2-{[4-(4-methylphenyl)-1,3-thiazol-2-yl]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 101.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-fluoro-N-({4-methyl-5-[(2-{[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide. Following Lipinski's Rule of Five, 2-fluoro-N-({4-methyl-5-[(2-{[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino}-2-oxoethyl)sulfanyl]-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 2-fluoro-N-({4-methyl-5-[(2-{[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide?
The CAS number of 2-fluoro-N-({4-methyl-5-[(2-{[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide is 706777-27-7.
What is the molecular formula of 2-fluoro-N-({4-methyl-5-[(2-{[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide?
The molecular formula of 2-fluoro-N-({4-methyl-5-[(2-{[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide is C23H21FN6O2S2.
What is the molecular weight of 2-fluoro-N-({4-methyl-5-[(2-{[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide?
The molecular weight of 2-fluoro-N-({4-methyl-5-[(2-{[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide is 496.12 g/mol.
Where can I buy 2-fluoro-N-({4-methyl-5-[(2-{[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide?
You can request a quote for 2-fluoro-N-({4-methyl-5-[(2-{[4-(4-methylphenyl)-1,3-thiazol-2-yl]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 2-fluoro-N-({4-methyl-5-[(2-{[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino}-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-fluoro-N-({4-methyl-5-[(2-{[4-(4-methylphenyl)-1,3-thiazol-2-yl]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.