![N-(2-fluorophenyl)-3-[5-({2-[(2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]propanamide structure](/static/products/830/830350-38-4.png)
N-(2-fluorophenyl)-3-[5-({2-[(2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]propanamide
TL;DR: N-(2-fluorophenyl)-3-[5-({2-[(2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]propanamide (CAS 830350-38-4) is a chemical compound with molecular formula C21H22FN5O3S and molecular weight 443.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-fluorophenyl)-3-[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide
Also Known As: N-(2-fluorophenyl)-3-[5-({2-[(2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]propanamide, N-(2-fluorophenyl)-3-[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide, N-(2-fluorophenyl)-3-[5-({2-[(2-methoxyphenyl)amino]-2-oxoethyl}thio)-4-methyl-4H-1,2,4-triazol-3-yl]propanamide
| Molecular Formula | C21H22FN5O3S |
|---|---|
| Molecular Weight | 443.14 g/mol |
| LogP | 3.2649 |
| Topological Polar Surface Area | 98.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 443.14273 |
| Heavy Atoms | 31 |
| Complexity | 1072.6737 |
Chemical Identifiers
| CAS Number | 830350-38-4 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2OC)CCC(=O)NC3=CC=CC=C3F |
Product Overview
N-(2-fluorophenyl)-3-[5-({2-[(2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]propanamide (CAS 830350-38-4), with molecular formula C21H22FN5O3S and molecular weight 443.14 g/mol. IUPAC: N-(2-fluorophenyl)-3-[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide.
Chemical Property Profile of N-(2-fluorophenyl)-3-[5-({2-[(2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]propanamide
Property Insights of N-(2-fluorophenyl)-3-[5-({2-[(2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]propanamide
The XLogP value of 3.2649 indicates that N-(2-fluorophenyl)-3-[5-({2-[(2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]propanamide 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 N-(2-fluorophenyl)-3-[5-({2-[(2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]propanamide. Following Lipinski's Rule of Five, N-(2-fluorophenyl)-3-[5-({2-[(2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]propanamide 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 N-(2-fluorophenyl)-3-[5-({2-[(2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]propanamide?
The CAS number of N-(2-fluorophenyl)-3-[5-({2-[(2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]propanamide is 830350-38-4.
What is the molecular formula of N-(2-fluorophenyl)-3-[5-({2-[(2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]propanamide?
The molecular formula of N-(2-fluorophenyl)-3-[5-({2-[(2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]propanamide is C21H22FN5O3S.
What is the molecular weight of N-(2-fluorophenyl)-3-[5-({2-[(2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]propanamide?
The molecular weight of N-(2-fluorophenyl)-3-[5-({2-[(2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]propanamide is 443.14 g/mol.
Where can I buy N-(2-fluorophenyl)-3-[5-({2-[(2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]propanamide?
You can request a quote for N-(2-fluorophenyl)-3-[5-({2-[(2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-fluorophenyl)-3-[5-({2-[(2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-fluorophenyl)-3-[5-({2-[(2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.