1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone
TL;DR: 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone (CAS 849045-78-9) is a chemical compound with molecular formula C13H17N5OS and molecular weight 291.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone
Also Known As: 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone, 1-(1-Cyclopropyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethan-1-one
| Molecular Formula | C13H17N5OS |
|---|---|
| Molecular Weight | 291.12 g/mol |
| LogP | 1.93834 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 291.1154 |
| Heavy Atoms | 20 |
| Complexity | 655.7658 |
Chemical Identifiers
| CAS Number | 849045-78-9 |
|---|---|
| SMILES | CC1=CC(=C(N1C2CC2)C)C(=O)CSC3=NN=NN3C |
Product Overview
1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone (CAS 849045-78-9), with molecular formula C13H17N5OS and molecular weight 291.12 g/mol. IUPAC: 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone.
Chemical Property Profile of 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone
Property Insights of 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone
The XLogP value of 1.93834 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone. Following Lipinski's Rule of Five, 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone 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-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone?
The CAS number of 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone is 849045-78-9.
What is the molecular formula of 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone?
The molecular formula of 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone is C13H17N5OS.
What is the molecular weight of 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone?
The molecular weight of 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone is 291.12 g/mol.
Where can I buy 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone?
You can request a quote for 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.