2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide
TL;DR: 2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide (CAS 690961-99-0) is a chemical compound with molecular formula C9H11N5O2S and molecular weight 253.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
Also Known As: VU0618489-1, F3394-1419, N-furfuryl(5-amino-1H-1,2,4-triazol-3-ylthio)acetamide, 2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide, 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
| Molecular Formula | C9H11N5O2S |
|---|---|
| Molecular Weight | 253.06 g/mol |
| LogP | 0.3884 |
| Topological Polar Surface Area | 109.83 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 253.06334 |
| Heavy Atoms | 17 |
| Complexity | 481.30237 |
Chemical Identifiers
| CAS Number | 690961-99-0 |
|---|---|
| SMILES | C1=COC(=C1)CNC(=O)CSC2=NNC(=N2)N |
Product Overview
2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide (CAS 690961-99-0), with molecular formula C9H11N5O2S and molecular weight 253.06 g/mol. IUPAC: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide.
Chemical Property Profile of 2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide
Property Insights of 2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide
The XLogP value of 0.3884 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide. The TPSA of 109.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide. Following Lipinski's Rule of Five, 2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide has 3 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-((5-amino-1H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide?
The CAS number of 2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide is 690961-99-0.
What is the molecular formula of 2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide?
The molecular formula of 2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide is C9H11N5O2S.
What is the molecular weight of 2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide?
The molecular weight of 2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide is 253.06 g/mol.
Where can I buy 2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide?
You can request a quote for 2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.