![N-(3,4-dimethoxyphenyl)-2-{[4-phenyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide structure](/static/products/899/899405-96-0.png)
N-(3,4-dimethoxyphenyl)-2-{[4-phenyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
TL;DR: N-(3,4-dimethoxyphenyl)-2-{[4-phenyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 899405-96-0) is a chemical compound with molecular formula C23H21N5O3S and molecular weight 447.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,4-dimethoxyphenyl)-2-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: N-(3,4-dimethoxyphenyl)-2-{[4-phenyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(3,4-dimethoxyphenyl)-2-(4-phenyl-5-(2-pyridyl)(1,2,4-triazol-3-ylthio))acet amide, N-(3,4-Dimethoxy-phenyl)-2-(4-phenyl-5-pyridin-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide, N-(3,4-dimethoxyphenyl)-2-((4-phenyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(3,4-dimethoxyphenyl)-2-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
| Molecular Formula | C23H21N5O3S |
|---|---|
| Molecular Weight | 447.14 g/mol |
| LogP | 4.0773 |
| Topological Polar Surface Area | 91.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 447.1365 |
| Heavy Atoms | 32 |
| Complexity | 1198.9996 |
Chemical Identifiers
| CAS Number | 899405-96-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=N4)OC |
Product Overview
N-(3,4-dimethoxyphenyl)-2-{[4-phenyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 899405-96-0), with molecular formula C23H21N5O3S and molecular weight 447.14 g/mol. IUPAC: N-(3,4-dimethoxyphenyl)-2-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of N-(3,4-dimethoxyphenyl)-2-{[4-phenyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Property Insights of N-(3,4-dimethoxyphenyl)-2-{[4-phenyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
The XLogP value of 4.0773 indicates that N-(3,4-dimethoxyphenyl)-2-{[4-phenyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.16 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3,4-dimethoxyphenyl)-2-{[4-phenyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide. Following Lipinski's Rule of Five, N-(3,4-dimethoxyphenyl)-2-{[4-phenyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide has 1 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 N-(3,4-dimethoxyphenyl)-2-{[4-phenyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The CAS number of N-(3,4-dimethoxyphenyl)-2-{[4-phenyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 899405-96-0.
What is the molecular formula of N-(3,4-dimethoxyphenyl)-2-{[4-phenyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular formula of N-(3,4-dimethoxyphenyl)-2-{[4-phenyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is C23H21N5O3S.
What is the molecular weight of N-(3,4-dimethoxyphenyl)-2-{[4-phenyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular weight of N-(3,4-dimethoxyphenyl)-2-{[4-phenyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 447.14 g/mol.
Where can I buy N-(3,4-dimethoxyphenyl)-2-{[4-phenyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
You can request a quote for N-(3,4-dimethoxyphenyl)-2-{[4-phenyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3,4-dimethoxyphenyl)-2-{[4-phenyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3,4-dimethoxyphenyl)-2-{[4-phenyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.