![3-[(1-Phenyl-5-tetrazolyl)thio]-2-oxolanone structure](/static/products/4522/452287-45-5.webp)
3-[(1-Phenyl-5-tetrazolyl)thio]-2-oxolanone
TL;DR: 3-[(1-Phenyl-5-tetrazolyl)thio]-2-oxolanone (CAS 452287-45-5) is a chemical compound with molecular formula C11H10N4O2S and molecular weight 262.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-phenyltetrazol-5-yl)sulfanyloxolan-2-one
Also Known As: 3-(1-phenyltetrazol-5-yl)sulfanyloxolan-2-one, BAS 06984752, 3-[(1-phenyl-5-tetrazolyl)thio]-2-oxolanone, 3-(1-Phenyl-1H-tetrazol-5-ylsulfanyl)-dihydro-furan-2-one, 3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]dihydrofuran-2(3H)-one
| Molecular Formula | C11H10N4O2S |
|---|---|
| Molecular Weight | 262.05 g/mol |
| LogP | 1.0699 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.05246 |
| Heavy Atoms | 18 |
| Complexity | 557.18066 |
Chemical Identifiers
| CAS Number | 452287-45-5 |
|---|---|
| SMILES | C1COC(=O)C1SC2=NN=NN2C3=CC=CC=C3 |
Product Overview
3-[(1-Phenyl-5-tetrazolyl)thio]-2-oxolanone (CAS 452287-45-5), with molecular formula C11H10N4O2S and molecular weight 262.05 g/mol. IUPAC: 3-(1-phenyltetrazol-5-yl)sulfanyloxolan-2-one.
Chemical Property Profile of 3-[(1-Phenyl-5-tetrazolyl)thio]-2-oxolanone
Property Insights of 3-[(1-Phenyl-5-tetrazolyl)thio]-2-oxolanone
The XLogP value of 1.0699 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(1-Phenyl-5-tetrazolyl)thio]-2-oxolanone. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(1-Phenyl-5-tetrazolyl)thio]-2-oxolanone. Following Lipinski's Rule of Five, 3-[(1-Phenyl-5-tetrazolyl)thio]-2-oxolanone has 0 hydrogen bond donor(s) and 6 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 3-[(1-Phenyl-5-tetrazolyl)thio]-2-oxolanone?
The CAS number of 3-[(1-Phenyl-5-tetrazolyl)thio]-2-oxolanone is 452287-45-5.
What is the molecular formula of 3-[(1-Phenyl-5-tetrazolyl)thio]-2-oxolanone?
The molecular formula of 3-[(1-Phenyl-5-tetrazolyl)thio]-2-oxolanone is C11H10N4O2S.
What is the molecular weight of 3-[(1-Phenyl-5-tetrazolyl)thio]-2-oxolanone?
The molecular weight of 3-[(1-Phenyl-5-tetrazolyl)thio]-2-oxolanone is 262.05 g/mol.
Where can I buy 3-[(1-Phenyl-5-tetrazolyl)thio]-2-oxolanone?
You can request a quote for 3-[(1-Phenyl-5-tetrazolyl)thio]-2-oxolanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(1-Phenyl-5-tetrazolyl)thio]-2-oxolanone?
Yes, KEHONG BIO provides custom synthesis services for 3-[(1-Phenyl-5-tetrazolyl)thio]-2-oxolanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.