![2-{4-Amino-5-[3-(methylethoxy)phenyl]-1,2,4-triazol-3-ylthio}acetamide structure](/static/products/5855/585563-30-0.webp)
2-{4-Amino-5-[3-(methylethoxy)phenyl]-1,2,4-triazol-3-ylthio}acetamide
TL;DR: 2-{4-Amino-5-[3-(methylethoxy)phenyl]-1,2,4-triazol-3-ylthio}acetamide (CAS 585563-30-0) is a chemical compound with molecular formula C13H17N5O2S and molecular weight 307.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: 2-{4-amino-5-[3-(methylethoxy)phenyl]-1,2,4-triazol-3-ylthio}acetamide, 2-((4-amino-5-(3-isopropoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, 2-({4-amino-5-[3-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide, 2-[[4-amino-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C13H17N5O2S |
|---|---|
| Molecular Weight | 307.11 g/mol |
| LogP | 1.0235 |
| Topological Polar Surface Area | 109.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 307.1103 |
| Heavy Atoms | 21 |
| Complexity | 641.2419 |
Chemical Identifiers
| CAS Number | 585563-30-0 |
|---|---|
| SMILES | CC(C)OC1=CC=CC(=C1)C2=NN=C(N2N)SCC(=O)N |
Product Overview
2-{4-Amino-5-[3-(methylethoxy)phenyl]-1,2,4-triazol-3-ylthio}acetamide (CAS 585563-30-0), with molecular formula C13H17N5O2S and molecular weight 307.11 g/mol. IUPAC: 2-[[4-amino-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of 2-{4-Amino-5-[3-(methylethoxy)phenyl]-1,2,4-triazol-3-ylthio}acetamide
Property Insights of 2-{4-Amino-5-[3-(methylethoxy)phenyl]-1,2,4-triazol-3-ylthio}acetamide
The XLogP value of 1.0235 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{4-Amino-5-[3-(methylethoxy)phenyl]-1,2,4-triazol-3-ylthio}acetamide. The TPSA of 109.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{4-Amino-5-[3-(methylethoxy)phenyl]-1,2,4-triazol-3-ylthio}acetamide. Following Lipinski's Rule of Five, 2-{4-Amino-5-[3-(methylethoxy)phenyl]-1,2,4-triazol-3-ylthio}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-[3-(methylethoxy)phenyl]-1,2,4-triazol-3-ylthio}acetamide?
The CAS number of 2-{4-Amino-5-[3-(methylethoxy)phenyl]-1,2,4-triazol-3-ylthio}acetamide is 585563-30-0.
What is the molecular formula of 2-{4-Amino-5-[3-(methylethoxy)phenyl]-1,2,4-triazol-3-ylthio}acetamide?
The molecular formula of 2-{4-Amino-5-[3-(methylethoxy)phenyl]-1,2,4-triazol-3-ylthio}acetamide is C13H17N5O2S.
What is the molecular weight of 2-{4-Amino-5-[3-(methylethoxy)phenyl]-1,2,4-triazol-3-ylthio}acetamide?
The molecular weight of 2-{4-Amino-5-[3-(methylethoxy)phenyl]-1,2,4-triazol-3-ylthio}acetamide is 307.11 g/mol.
Where can I buy 2-{4-Amino-5-[3-(methylethoxy)phenyl]-1,2,4-triazol-3-ylthio}acetamide?
You can request a quote for 2-{4-Amino-5-[3-(methylethoxy)phenyl]-1,2,4-triazol-3-ylthio}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-[3-(methylethoxy)phenyl]-1,2,4-triazol-3-ylthio}acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{4-Amino-5-[3-(methylethoxy)phenyl]-1,2,4-triazol-3-ylthio}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.