2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-1-(2-methyl-1H-indol-3-yl)ethanone
TL;DR: 2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-1-(2-methyl-1H-indol-3-yl)ethanone (CAS 727689-98-7) is a chemical compound with molecular formula C13H13N5OS and molecular weight 287.08 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]-1-(2-methyl-1H-indol-3-yl)ethanone
Also Known As: CBKinase1_010848, CBKinase1_023248, VU0311726-3, 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethan-1-one, BRD-K15820346-001-01-0
| Molecular Formula | C13H13N5OS |
|---|---|
| Molecular Weight | 287.08 g/mol |
| LogP | 2.15162 |
| Topological Polar Surface Area | 100.45 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 287.08408 |
| Heavy Atoms | 20 |
| Complexity | 776.0134 |
Chemical Identifiers
| CAS Number | 727689-98-7 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2N1)C(=O)CSC3=NNC(=N3)N |
Product Overview
2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-1-(2-methyl-1H-indol-3-yl)ethanone (CAS 727689-98-7), with molecular formula C13H13N5OS and molecular weight 287.08 g/mol. IUPAC: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone.
Chemical Property Profile of 2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-1-(2-methyl-1H-indol-3-yl)ethanone
Property Insights of 2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-1-(2-methyl-1H-indol-3-yl)ethanone
The XLogP value of 2.15162 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-1-(2-methyl-1H-indol-3-yl)ethanone. The TPSA of 100.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-1-(2-methyl-1H-indol-3-yl)ethanone. Following Lipinski's Rule of Five, 2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-1-(2-methyl-1H-indol-3-yl)ethanone has 3 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-((5-amino-1H-1,2,4-triazol-3-yl)thio)-1-(2-methyl-1H-indol-3-yl)ethanone?
The CAS number of 2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-1-(2-methyl-1H-indol-3-yl)ethanone is 727689-98-7.
What is the molecular formula of 2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-1-(2-methyl-1H-indol-3-yl)ethanone?
The molecular formula of 2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-1-(2-methyl-1H-indol-3-yl)ethanone is C13H13N5OS.
What is the molecular weight of 2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-1-(2-methyl-1H-indol-3-yl)ethanone?
The molecular weight of 2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-1-(2-methyl-1H-indol-3-yl)ethanone is 287.08 g/mol.
Where can I buy 2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-1-(2-methyl-1H-indol-3-yl)ethanone?
You can request a quote for 2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-1-(2-methyl-1H-indol-3-yl)ethanone 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)-1-(2-methyl-1H-indol-3-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-1-(2-methyl-1H-indol-3-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.