![5-[(2-oxo-2-pyrrolidin-1-ylethyl)thio]-1-phenyl-1H-tetrazole structure](/static/products/3156/315677-86-2.webp)
5-[(2-oxo-2-pyrrolidin-1-ylethyl)thio]-1-phenyl-1H-tetrazole
TL;DR: 5-[(2-oxo-2-pyrrolidin-1-ylethyl)thio]-1-phenyl-1H-tetrazole (CAS 315677-86-2) 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.
2-(1-phenyltetrazol-5-yl)sulfanyl-1-pyrrolidin-1-ylethanone
Also Known As: IFLab1_003938, 5-[(2-oxo-2-pyrrolidin-1-ylethyl)thio]-1-phenyl-1H-tetrazole, 2-(1-phenyltetrazol-5-yl)sulfanyl-1-pyrrolidin-1-ylethanone, 2-(1-phenyl(1,2,3,4-tetraazol-5-ylthio))-1-pyrrolidinylethan-1-one
| Molecular Formula | C13H15N5OS |
|---|---|
| Molecular Weight | 289.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 89.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 289.09973 |
| Heavy Atoms | 20 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 315677-86-2 |
|---|---|
| SMILES | C1CCN(C1)C(=O)CSC2=NN=NN2C3=CC=CC=C3 |
| InChIKey | VTYZUIQSLMUCTH-UHFFFAOYSA-N |
Product Overview
5-[(2-oxo-2-pyrrolidin-1-ylethyl)thio]-1-phenyl-1H-tetrazole (CAS 315677-86-2), with molecular formula C13H15N5OS and molecular weight 289.10 g/mol. IUPAC: 2-(1-phenyltetrazol-5-yl)sulfanyl-1-pyrrolidin-1-ylethanone.
Chemical Property Profile of 5-[(2-oxo-2-pyrrolidin-1-ylethyl)thio]-1-phenyl-1H-tetrazole
Property Insights of 5-[(2-oxo-2-pyrrolidin-1-ylethyl)thio]-1-phenyl-1H-tetrazole
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(2-oxo-2-pyrrolidin-1-ylethyl)thio]-1-phenyl-1H-tetrazole. The TPSA of 89.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(2-oxo-2-pyrrolidin-1-ylethyl)thio]-1-phenyl-1H-tetrazole. Following Lipinski's Rule of Five, 5-[(2-oxo-2-pyrrolidin-1-ylethyl)thio]-1-phenyl-1H-tetrazole 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 5-[(2-oxo-2-pyrrolidin-1-ylethyl)thio]-1-phenyl-1H-tetrazole?
The CAS number of 5-[(2-oxo-2-pyrrolidin-1-ylethyl)thio]-1-phenyl-1H-tetrazole is 315677-86-2.
What is the molecular formula of 5-[(2-oxo-2-pyrrolidin-1-ylethyl)thio]-1-phenyl-1H-tetrazole?
The molecular formula of 5-[(2-oxo-2-pyrrolidin-1-ylethyl)thio]-1-phenyl-1H-tetrazole is C13H15N5OS.
What is the molecular weight of 5-[(2-oxo-2-pyrrolidin-1-ylethyl)thio]-1-phenyl-1H-tetrazole?
The molecular weight of 5-[(2-oxo-2-pyrrolidin-1-ylethyl)thio]-1-phenyl-1H-tetrazole is 289.10 g/mol.
Where can I buy 5-[(2-oxo-2-pyrrolidin-1-ylethyl)thio]-1-phenyl-1H-tetrazole?
You can request a quote for 5-[(2-oxo-2-pyrrolidin-1-ylethyl)thio]-1-phenyl-1H-tetrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(2-oxo-2-pyrrolidin-1-ylethyl)thio]-1-phenyl-1H-tetrazole?
Yes, KEHONG BIO provides custom synthesis services for 5-[(2-oxo-2-pyrrolidin-1-ylethyl)thio]-1-phenyl-1H-tetrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.