2-((1-Methyl-1H-tetrazol-5-yl)thio)-1-(2-methylindolin-1-yl)ethan-1-one
TL;DR: 2-((1-Methyl-1H-tetrazol-5-yl)thio)-1-(2-methylindolin-1-yl)ethan-1-one (CAS 380170-59-2) is a chemical compound with molecular formula C13H15N5OS and molecular weight 289.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone
Also Known As: 2-((1-Methyl-1H-tetrazol-5-yl)thio)-1-(2-methylindolin-1-yl)ethan-1-one, BAS 03578230, 2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-(2-methyl-2,3-dihydro-1H-indol-1-yl)ethan-1-one, 2-methyl-1-{[(1-methyl-1H-tetrazol-5-yl)thio]acetyl}indoline, 1-(2-methyl-2,3-dihydro-1H-indol-1-yl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethanone
| Molecular Formula | C13H15N5OS |
|---|---|
| Molecular Weight | 289.10 g/mol |
| LogP | 1.28 |
| Topological Polar Surface Area | 63.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 289.09973 |
| Heavy Atoms | 20 |
| Complexity | 641.19666 |
Chemical Identifiers
| CAS Number | 380170-59-2 |
|---|---|
| SMILES | CC1CC2=CC=CC=C2N1C(=O)CSC3=NN=NN3C |
Product Overview
2-((1-Methyl-1H-tetrazol-5-yl)thio)-1-(2-methylindolin-1-yl)ethan-1-one (CAS 380170-59-2), with molecular formula C13H15N5OS and molecular weight 289.10 g/mol. IUPAC: 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone.
Chemical Property Profile of 2-((1-Methyl-1H-tetrazol-5-yl)thio)-1-(2-methylindolin-1-yl)ethan-1-one
Property Insights of 2-((1-Methyl-1H-tetrazol-5-yl)thio)-1-(2-methylindolin-1-yl)ethan-1-one
The XLogP value of 1.28 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((1-Methyl-1H-tetrazol-5-yl)thio)-1-(2-methylindolin-1-yl)ethan-1-one. The TPSA of 63.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((1-Methyl-1H-tetrazol-5-yl)thio)-1-(2-methylindolin-1-yl)ethan-1-one. Following Lipinski's Rule of Five, 2-((1-Methyl-1H-tetrazol-5-yl)thio)-1-(2-methylindolin-1-yl)ethan-1-one has 0 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-((1-Methyl-1H-tetrazol-5-yl)thio)-1-(2-methylindolin-1-yl)ethan-1-one?
The CAS number of 2-((1-Methyl-1H-tetrazol-5-yl)thio)-1-(2-methylindolin-1-yl)ethan-1-one is 380170-59-2.
What is the molecular formula of 2-((1-Methyl-1H-tetrazol-5-yl)thio)-1-(2-methylindolin-1-yl)ethan-1-one?
The molecular formula of 2-((1-Methyl-1H-tetrazol-5-yl)thio)-1-(2-methylindolin-1-yl)ethan-1-one is C13H15N5OS.
What is the molecular weight of 2-((1-Methyl-1H-tetrazol-5-yl)thio)-1-(2-methylindolin-1-yl)ethan-1-one?
The molecular weight of 2-((1-Methyl-1H-tetrazol-5-yl)thio)-1-(2-methylindolin-1-yl)ethan-1-one is 289.10 g/mol.
Where can I buy 2-((1-Methyl-1H-tetrazol-5-yl)thio)-1-(2-methylindolin-1-yl)ethan-1-one?
You can request a quote for 2-((1-Methyl-1H-tetrazol-5-yl)thio)-1-(2-methylindolin-1-yl)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((1-Methyl-1H-tetrazol-5-yl)thio)-1-(2-methylindolin-1-yl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-((1-Methyl-1H-tetrazol-5-yl)thio)-1-(2-methylindolin-1-yl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.