![N-[4-[5-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]-2-fluorobenzamide structure](/static/products/4256/425650-45-9.webp)
N-[4-[5-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]-2-fluorobenzamide
TL;DR: N-[4-[5-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]-2-fluorobenzamide (CAS 425650-45-9) is a chemical compound with molecular formula C25H22FN5O2S and molecular weight 475.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[5-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]-2-fluorobenzamide
Also Known As: N-[4-[5-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]-2-fluorobenzamide, N-(4-(5-((2-(benzylamino)-2-oxoethyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)phenyl)-2-fluorobenzamide, N-[4-(5-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)phenyl]-2-fluorobenzamide, N-[4-[5-(benzylcarbamoylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]phenyl]-2-fluoro-benzamide, Cambridge id 6302712
| Molecular Formula | C25H22FN5O2S |
|---|---|
| Molecular Weight | 475.15 g/mol |
| LogP | 4.282 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 475.14783 |
| Heavy Atoms | 34 |
| Complexity | 1292.426 |
Chemical Identifiers
| CAS Number | 425650-45-9 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NCC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4F |
Product Overview
N-[4-[5-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]-2-fluorobenzamide (CAS 425650-45-9), with molecular formula C25H22FN5O2S and molecular weight 475.15 g/mol. IUPAC: N-[4-[5-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]-2-fluorobenzamide.
Chemical Property Profile of N-[4-[5-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]-2-fluorobenzamide
Property Insights of N-[4-[5-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]-2-fluorobenzamide
The XLogP value of 4.282 indicates that N-[4-[5-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]-2-fluorobenzamide 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-[4-[5-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]-2-fluorobenzamide. Following Lipinski's Rule of Five, N-[4-[5-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]-2-fluorobenzamide 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-[4-[5-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]-2-fluorobenzamide?
The CAS number of N-[4-[5-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]-2-fluorobenzamide is 425650-45-9.
What is the molecular formula of N-[4-[5-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]-2-fluorobenzamide?
The molecular formula of N-[4-[5-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]-2-fluorobenzamide is C25H22FN5O2S.
What is the molecular weight of N-[4-[5-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]-2-fluorobenzamide?
The molecular weight of N-[4-[5-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]-2-fluorobenzamide is 475.15 g/mol.
Where can I buy N-[4-[5-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]-2-fluorobenzamide?
You can request a quote for N-[4-[5-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]-2-fluorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[4-[5-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]-2-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-[5-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]-2-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.