![1-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethanone structure](/static/products/3565/356568-88-2.webp)
1-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethanone
TL;DR: 1-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethanone (CAS 356568-88-2) is a chemical compound with molecular formula C21H18FN5OS and molecular weight 407.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(1-phenyltetrazol-5-yl)sulfanylethanone
Also Known As: 1-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethanone, 1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(1-phenyl(1,2,3,4-tetraazol-5 -ylthio))ethan-1-one
| Molecular Formula | C21H18FN5OS |
|---|---|
| Molecular Weight | 407.12 g/mol |
| LogP | 4.18394 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 407.1216 |
| Heavy Atoms | 29 |
| Complexity | 1151.7955 |
Chemical Identifiers
| CAS Number | 356568-88-2 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)CSC3=NN=NN3C4=CC=CC=C4 |
Product Overview
1-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethanone (CAS 356568-88-2), with molecular formula C21H18FN5OS and molecular weight 407.12 g/mol. IUPAC: 1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(1-phenyltetrazol-5-yl)sulfanylethanone.
Chemical Property Profile of 1-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethanone
Property Insights of 1-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethanone
The XLogP value of 4.18394 indicates that 1-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethanone. Following Lipinski's Rule of Five, 1-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethanone 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-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethanone?
The CAS number of 1-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethanone is 356568-88-2.
What is the molecular formula of 1-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethanone?
The molecular formula of 1-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethanone is C21H18FN5OS.
What is the molecular weight of 1-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethanone?
The molecular weight of 1-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethanone is 407.12 g/mol.
Where can I buy 1-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethanone?
You can request a quote for 1-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.