1-(1-Benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethan-1-one
TL;DR: 1-(1-Benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethan-1-one (CAS 796093-87-3) is a chemical compound with molecular formula C17H19N5OS and molecular weight 341.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone
Also Known As: 1-(1-Benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethan-1-one, 1-(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethan-1-one, 1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone, Ethanone, 1-[2,5-dimethyl-1-(phenylmethyl)-1H-pyrrol-3-yl]-2-[(1-methyl-1H-tetrazol-5-yl)thio]-
| Molecular Formula | C17H19N5OS |
|---|---|
| Molecular Weight | 341.13 g/mol |
| LogP | 2.65174 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 341.13104 |
| Heavy Atoms | 24 |
| Complexity | 853.2505 |
Chemical Identifiers
| CAS Number | 796093-87-3 |
|---|---|
| SMILES | CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)CSC3=NN=NN3C |
Product Overview
1-(1-Benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethan-1-one (CAS 796093-87-3), with molecular formula C17H19N5OS and molecular weight 341.13 g/mol. IUPAC: 1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone.
Chemical Property Profile of 1-(1-Benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethan-1-one
Property Insights of 1-(1-Benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethan-1-one
The XLogP value of 2.65174 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1-Benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethan-1-one. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1-Benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethan-1-one. Following Lipinski's Rule of Five, 1-(1-Benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-((1-methyl-1H-tetrazol-5-yl)thio)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 1-(1-Benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethan-1-one?
The CAS number of 1-(1-Benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethan-1-one is 796093-87-3.
What is the molecular formula of 1-(1-Benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethan-1-one?
The molecular formula of 1-(1-Benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethan-1-one is C17H19N5OS.
What is the molecular weight of 1-(1-Benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethan-1-one?
The molecular weight of 1-(1-Benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethan-1-one is 341.13 g/mol.
Where can I buy 1-(1-Benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethan-1-one?
You can request a quote for 1-(1-Benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-((1-methyl-1H-tetrazol-5-yl)thio)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 1-(1-Benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.