2-[(4-amino-5-benzyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide
TL;DR: 2-[(4-amino-5-benzyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide (CAS 905797-90-2) is a chemical compound with molecular formula C19H21N5O2S and molecular weight 383.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-amino-5-benzyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide
Also Known As: 2-[(4-amino-5-benzyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide, F2715-0597, 2-((4-amino-5-benzyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-ethoxyphenyl)acetamide, 2-[(4-amino-5-benzyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide
| Molecular Formula | C19H21N5O2S |
|---|---|
| Molecular Weight | 383.14 g/mol |
| LogP | 2.7122 |
| Topological Polar Surface Area | 95.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 383.1416 |
| Heavy Atoms | 27 |
| Complexity | 898.1255 |
Chemical Identifiers
| CAS Number | 905797-90-2 |
|---|---|
| SMILES | CCOC1=CC=CC=C1NC(=O)CSC2=NN=C(N2N)CC3=CC=CC=C3 |
Product Overview
2-[(4-amino-5-benzyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide (CAS 905797-90-2), with molecular formula C19H21N5O2S and molecular weight 383.14 g/mol. IUPAC: 2-[(4-amino-5-benzyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide.
Chemical Property Profile of 2-[(4-amino-5-benzyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide
Property Insights of 2-[(4-amino-5-benzyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide
The XLogP value of 2.7122 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-amino-5-benzyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide. The TPSA of 95.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-amino-5-benzyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide. Following Lipinski's Rule of Five, 2-[(4-amino-5-benzyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide 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 2-[(4-amino-5-benzyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide?
The CAS number of 2-[(4-amino-5-benzyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide is 905797-90-2.
What is the molecular formula of 2-[(4-amino-5-benzyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide?
The molecular formula of 2-[(4-amino-5-benzyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide is C19H21N5O2S.
What is the molecular weight of 2-[(4-amino-5-benzyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide?
The molecular weight of 2-[(4-amino-5-benzyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide is 383.14 g/mol.
Where can I buy 2-[(4-amino-5-benzyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide?
You can request a quote for 2-[(4-amino-5-benzyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-amino-5-benzyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-amino-5-benzyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.