![3-[4-(2-methylpropyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]propanamide structure](/static/products/853/853723-92-9.png)
3-[4-(2-methylpropyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]propanamide
TL;DR: 3-[4-(2-methylpropyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]propanamide (CAS 853723-92-9) is a chemical compound with molecular formula C9H16N4OS and molecular weight 228.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(2-methylpropyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]propanamide
Also Known As: 3-[4-(2-methylpropyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]propanamide, 3-(4-isobutyl-5-mercapto-4H-1,2,4-triazol-3-yl)propanamide, 3-[4-(2-methylpropyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]propanamide, 3-[4-(2-methylpropyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]propanamide
| Molecular Formula | C9H16N4OS |
|---|---|
| Molecular Weight | 228.10 g/mol |
| LogP | 1.01459 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 228.10448 |
| Heavy Atoms | 15 |
| Complexity | 393.06177 |
Chemical Identifiers
| CAS Number | 853723-92-9 |
|---|---|
| SMILES | CC(C)CN1C(=NNC1=S)CCC(=O)N |
Product Overview
3-[4-(2-methylpropyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]propanamide (CAS 853723-92-9), with molecular formula C9H16N4OS and molecular weight 228.10 g/mol. IUPAC: 3-[4-(2-methylpropyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]propanamide.
Chemical Property Profile of 3-[4-(2-methylpropyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]propanamide
Property Insights of 3-[4-(2-methylpropyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]propanamide
The XLogP value of 1.01459 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[4-(2-methylpropyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]propanamide. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[4-(2-methylpropyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]propanamide. Following Lipinski's Rule of Five, 3-[4-(2-methylpropyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]propanamide has 2 hydrogen bond donor(s) and 3 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 3-[4-(2-methylpropyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]propanamide?
The CAS number of 3-[4-(2-methylpropyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]propanamide is 853723-92-9.
What is the molecular formula of 3-[4-(2-methylpropyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]propanamide?
The molecular formula of 3-[4-(2-methylpropyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]propanamide is C9H16N4OS.
What is the molecular weight of 3-[4-(2-methylpropyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]propanamide?
The molecular weight of 3-[4-(2-methylpropyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]propanamide is 228.10 g/mol.
Where can I buy 3-[4-(2-methylpropyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]propanamide?
You can request a quote for 3-[4-(2-methylpropyl)-5-sulfanyl-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 3-[4-(2-methylpropyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]propanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-(2-methylpropyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.