![N-[4-(acetylamino)phenyl]-2-{[4-amino-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide structure](/static/products/5855/585563-92-4.webp)
N-[4-(acetylamino)phenyl]-2-{[4-amino-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
TL;DR: N-[4-(acetylamino)phenyl]-2-{[4-amino-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 585563-92-4) is a chemical compound with molecular formula C20H22N6O4S and molecular weight 442.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-acetamidophenyl)-2-[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-[4-(acetylamino)phenyl]-2-{[4-amino-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(4-acetamidophenyl)-2-((4-amino-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(4-acetamidophenyl)-2-[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-[4-(acetylamino)phenyl]-2-[4-amino-5-(3,4-dimethoxyphenyl)(1,2,4-triazol-3-y lthio)]acetamide
| Molecular Formula | C20H22N6O4S |
|---|---|
| Molecular Weight | 442.14 g/mol |
| LogP | 2.3653 |
| Topological Polar Surface Area | 133.39 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 442.14233 |
| Heavy Atoms | 31 |
| Complexity | 1083.7742 |
Chemical Identifiers
| CAS Number | 585563-92-4 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CC(=C(C=C3)OC)OC |
Product Overview
N-[4-(acetylamino)phenyl]-2-{[4-amino-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 585563-92-4), with molecular formula C20H22N6O4S and molecular weight 442.14 g/mol. IUPAC: N-(4-acetamidophenyl)-2-[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-[4-(acetylamino)phenyl]-2-{[4-amino-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Property Insights of N-[4-(acetylamino)phenyl]-2-{[4-amino-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
The XLogP value of 2.3653 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[4-(acetylamino)phenyl]-2-{[4-amino-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide. The TPSA of 133.39 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[4-(acetylamino)phenyl]-2-{[4-amino-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide. Following Lipinski's Rule of Five, N-[4-(acetylamino)phenyl]-2-{[4-amino-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide has 3 hydrogen bond donor(s) and 8 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-(acetylamino)phenyl]-2-{[4-amino-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The CAS number of N-[4-(acetylamino)phenyl]-2-{[4-amino-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 585563-92-4.
What is the molecular formula of N-[4-(acetylamino)phenyl]-2-{[4-amino-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular formula of N-[4-(acetylamino)phenyl]-2-{[4-amino-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is C20H22N6O4S.
What is the molecular weight of N-[4-(acetylamino)phenyl]-2-{[4-amino-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular weight of N-[4-(acetylamino)phenyl]-2-{[4-amino-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 442.14 g/mol.
Where can I buy N-[4-(acetylamino)phenyl]-2-{[4-amino-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
You can request a quote for N-[4-(acetylamino)phenyl]-2-{[4-amino-5-(3,4-dimethoxyphenyl)-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-[4-(acetylamino)phenyl]-2-{[4-amino-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-(acetylamino)phenyl]-2-{[4-amino-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.