![2-{[4-(benzylamino)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(tert-butyl)acetamide structure](/static/products/7237/723752-07-6.webp)
2-{[4-(benzylamino)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(tert-butyl)acetamide
TL;DR: 2-{[4-(benzylamino)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(tert-butyl)acetamide (CAS 723752-07-6) is a chemical compound with molecular formula C15H21N5OS and molecular weight 319.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(benzylamino)-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butylacetamide
Also Known As: BAS 07020562, 2-{[4-(benzylamino)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(tert-butyl)acetamide, 2-(4-Benzylamino-4H-[1,2,4]triazol-3-ylsulfanyl)-N-tert-butyl-acetamide, AN-465/41991278, 2-[[4-(benzylamino)-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butylacetamide
| Molecular Formula | C15H21N5OS |
|---|---|
| Molecular Weight | 319.15 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 97.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 319.14667 |
| Heavy Atoms | 22 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 723752-07-6 |
|---|---|
| SMILES | CC(C)(C)NC(=O)CSC1=NN=CN1NCC2=CC=CC=C2 |
| InChIKey | HTYMZKCBFICSDS-UHFFFAOYSA-N |
Product Overview
2-{[4-(benzylamino)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(tert-butyl)acetamide (CAS 723752-07-6), with molecular formula C15H21N5OS and molecular weight 319.15 g/mol. IUPAC: 2-[[4-(benzylamino)-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butylacetamide.
Chemical Property Profile of 2-{[4-(benzylamino)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(tert-butyl)acetamide
Property Insights of 2-{[4-(benzylamino)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(tert-butyl)acetamide
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[4-(benzylamino)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(tert-butyl)acetamide. The TPSA of 97.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[4-(benzylamino)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(tert-butyl)acetamide. Following Lipinski's Rule of Five, 2-{[4-(benzylamino)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(tert-butyl)acetamide has 2 hydrogen bond donor(s) and 5 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-(benzylamino)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(tert-butyl)acetamide?
The CAS number of 2-{[4-(benzylamino)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(tert-butyl)acetamide is 723752-07-6.
What is the molecular formula of 2-{[4-(benzylamino)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(tert-butyl)acetamide?
The molecular formula of 2-{[4-(benzylamino)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(tert-butyl)acetamide is C15H21N5OS.
What is the molecular weight of 2-{[4-(benzylamino)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(tert-butyl)acetamide?
The molecular weight of 2-{[4-(benzylamino)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(tert-butyl)acetamide is 319.15 g/mol.
Where can I buy 2-{[4-(benzylamino)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(tert-butyl)acetamide?
You can request a quote for 2-{[4-(benzylamino)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(tert-butyl)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-(benzylamino)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(tert-butyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-(benzylamino)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(tert-butyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.