![(2E)-N-{4-[5-({2-[(2-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]phenyl}-3-phenylprop-2-enamide structure](/static/products/4339/433967-20-5.webp)
(2E)-N-{4-[5-({2-[(2-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]phenyl}-3-phenylprop-2-enamide
TL;DR: (2E)-N-{4-[5-({2-[(2-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]phenyl}-3-phenylprop-2-enamide (CAS 433967-20-5) is a chemical compound with molecular formula C26H22FN5O2S and molecular weight 487.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[4-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]-3-phenylprop-2-enamide
Also Known As: (2E)-N-{4-[5-({2-[(2-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]phenyl}-3-phenylprop-2-enamide, (E)-N-[4-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]-3-phenylprop-2-enamide
| Molecular Formula | C26H22FN5O2S |
|---|---|
| Molecular Weight | 487.15 g/mol |
| LogP | 5.0039 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 487.14783 |
| Heavy Atoms | 35 |
| Complexity | 1353.937 |
Chemical Identifiers
| CAS Number | 433967-20-5 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2F)C3=CC=C(C=C3)NC(=O)/C=C/C4=CC=CC=C4 |
Product Overview
(2E)-N-{4-[5-({2-[(2-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]phenyl}-3-phenylprop-2-enamide (CAS 433967-20-5), with molecular formula C26H22FN5O2S and molecular weight 487.15 g/mol. IUPAC: (E)-N-[4-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]-3-phenylprop-2-enamide.
Chemical Property Profile of (2E)-N-{4-[5-({2-[(2-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]phenyl}-3-phenylprop-2-enamide
Property Insights of (2E)-N-{4-[5-({2-[(2-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]phenyl}-3-phenylprop-2-enamide
The XLogP value of 5.0039 indicates that (2E)-N-{4-[5-({2-[(2-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]phenyl}-3-phenylprop-2-enamide 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 (2E)-N-{4-[5-({2-[(2-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]phenyl}-3-phenylprop-2-enamide. Following Lipinski's Rule of Five, (2E)-N-{4-[5-({2-[(2-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]phenyl}-3-phenylprop-2-enamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2E)-N-{4-[5-({2-[(2-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]phenyl}-3-phenylprop-2-enamide?
The CAS number of (2E)-N-{4-[5-({2-[(2-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]phenyl}-3-phenylprop-2-enamide is 433967-20-5.
What is the molecular formula of (2E)-N-{4-[5-({2-[(2-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]phenyl}-3-phenylprop-2-enamide?
The molecular formula of (2E)-N-{4-[5-({2-[(2-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]phenyl}-3-phenylprop-2-enamide is C26H22FN5O2S.
What is the molecular weight of (2E)-N-{4-[5-({2-[(2-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]phenyl}-3-phenylprop-2-enamide?
The molecular weight of (2E)-N-{4-[5-({2-[(2-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]phenyl}-3-phenylprop-2-enamide is 487.15 g/mol.
Where can I buy (2E)-N-{4-[5-({2-[(2-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]phenyl}-3-phenylprop-2-enamide?
You can request a quote for (2E)-N-{4-[5-({2-[(2-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]phenyl}-3-phenylprop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-N-{4-[5-({2-[(2-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]phenyl}-3-phenylprop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (2E)-N-{4-[5-({2-[(2-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]phenyl}-3-phenylprop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.