![1-Ethanone, 1-(2-methyl-1H-indol-3-yl)-2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)thio]- structure](/static/products/7276/727664-62-2.webp)
1-Ethanone, 1-(2-methyl-1H-indol-3-yl)-2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)thio]-
TL;DR: 1-Ethanone, 1-(2-methyl-1H-indol-3-yl)-2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)thio]- (CAS 727664-62-2) 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.
1-(2-methyl-1H-indol-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone
Also Known As: 1-Ethanone, 1-(2-methyl-1H-indol-3-yl)-2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)thio]-, A3737/0158351, 1-(2-methyl-1H-indol-3-yl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanone, 1-(2-methyl-1H-indol-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone, 1-(2-methyl-1H-indol-3-yl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethanone
| Molecular Formula | C13H13N5OS |
|---|---|
| Molecular Weight | 287.08 g/mol |
| LogP | 1.97482 |
| Topological Polar Surface Area | 76.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 287.08408 |
| Heavy Atoms | 20 |
| Complexity | 776.0134 |
Chemical Identifiers
| CAS Number | 727664-62-2 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2N1)C(=O)CSC3=NN=NN3C |
Product Overview
1-Ethanone, 1-(2-methyl-1H-indol-3-yl)-2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)thio]- (CAS 727664-62-2), with molecular formula C13H13N5OS and molecular weight 287.08 g/mol. IUPAC: 1-(2-methyl-1H-indol-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone.
Chemical Property Profile of 1-Ethanone, 1-(2-methyl-1H-indol-3-yl)-2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)thio]-
Property Insights of 1-Ethanone, 1-(2-methyl-1H-indol-3-yl)-2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)thio]-
The XLogP value of 1.97482 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethanone, 1-(2-methyl-1H-indol-3-yl)-2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)thio]-. The TPSA of 76.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Ethanone, 1-(2-methyl-1H-indol-3-yl)-2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)thio]-. Following Lipinski's Rule of Five, 1-Ethanone, 1-(2-methyl-1H-indol-3-yl)-2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)thio]- has 1 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 1-Ethanone, 1-(2-methyl-1H-indol-3-yl)-2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)thio]-?
The CAS number of 1-Ethanone, 1-(2-methyl-1H-indol-3-yl)-2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)thio]- is 727664-62-2.
What is the molecular formula of 1-Ethanone, 1-(2-methyl-1H-indol-3-yl)-2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)thio]-?
The molecular formula of 1-Ethanone, 1-(2-methyl-1H-indol-3-yl)-2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)thio]- is C13H13N5OS.
What is the molecular weight of 1-Ethanone, 1-(2-methyl-1H-indol-3-yl)-2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)thio]-?
The molecular weight of 1-Ethanone, 1-(2-methyl-1H-indol-3-yl)-2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)thio]- is 287.08 g/mol.
Where can I buy 1-Ethanone, 1-(2-methyl-1H-indol-3-yl)-2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)thio]-?
You can request a quote for 1-Ethanone, 1-(2-methyl-1H-indol-3-yl)-2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)thio]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethanone, 1-(2-methyl-1H-indol-3-yl)-2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)thio]-?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethanone, 1-(2-methyl-1H-indol-3-yl)-2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.