![3-[[5-(2-Nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one structure](/static/products/6944/694499-52-0.webp)
3-[[5-(2-Nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one
TL;DR: 3-[[5-(2-Nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one (CAS 694499-52-0) is a chemical compound with molecular formula C12H9N3O5S and molecular weight 307.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one
Also Known As: CBKinase1_004672, CBKinase1_017072, BRD-A12979967-001-01-7, 3-[[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one, 3-{[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}dihydrofuran-2(3H)-one
| Molecular Formula | C12H9N3O5S |
|---|---|
| Molecular Weight | 307.03 g/mol |
| LogP | 2.0524 |
| Topological Polar Surface Area | 108.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.0263 |
| Heavy Atoms | 21 |
| Complexity | 701.7063 |
Chemical Identifiers
| CAS Number | 694499-52-0 |
|---|---|
| SMILES | C1COC(=O)C1SC2=NN=C(O2)C3=CC=CC=C3[N+](=O)[O-] |
Product Overview
3-[[5-(2-Nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one (CAS 694499-52-0), with molecular formula C12H9N3O5S and molecular weight 307.03 g/mol. IUPAC: 3-[[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one.
Chemical Property Profile of 3-[[5-(2-Nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one
Property Insights of 3-[[5-(2-Nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one
The XLogP value of 2.0524 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[[5-(2-Nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one. The TPSA of 108.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[[5-(2-Nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one. Following Lipinski's Rule of Five, 3-[[5-(2-Nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one has 0 hydrogen bond donor(s) and 8 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-[[5-(2-Nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one?
The CAS number of 3-[[5-(2-Nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one is 694499-52-0.
What is the molecular formula of 3-[[5-(2-Nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one?
The molecular formula of 3-[[5-(2-Nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one is C12H9N3O5S.
What is the molecular weight of 3-[[5-(2-Nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one?
The molecular weight of 3-[[5-(2-Nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one is 307.03 g/mol.
Where can I buy 3-[[5-(2-Nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one?
You can request a quote for 3-[[5-(2-Nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[[5-(2-Nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[[5-(2-Nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.