3,5-Bis(4-nitrobenzylidene)tetrahydro-4h-thiopyran-4-one 1,1-dioxide
TL;DR: 3,5-Bis(4-nitrobenzylidene)tetrahydro-4h-thiopyran-4-one 1,1-dioxide (CAS 108477-18-5) is a chemical compound with molecular formula C19H14N2O7S and molecular weight 414.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-bis[(4-nitrophenyl)methylidene]-1,1-dioxothian-4-one
Also Known As: Ubiquitin Isopeptidase Inhibitor I, G5, NCI60_000969, 3,5-bis(4-nitrobenzylidene)tetrahydro-4h-thiopyran-4-one 1,1-dioxide, 3,5-bis[(4-nitrophenyl)methylidene]-1,1-dioxothian-4-one, (3Z,5Z)-3,5-bis[(4-nitrophenyl)methylidene]-1,1-dioxothian-4-one
| Molecular Formula | C19H14N2O7S |
|---|---|
| Molecular Weight | 414.05 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 151.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 414.0522 |
| Heavy Atoms | 29 |
| Complexity | 767.0 |
Chemical Identifiers
| CAS Number | 108477-18-5 |
|---|---|
| SMILES | C1C(=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C(=CC3=CC=C(C=C3)[N+](=O)[O-])CS1(=O)=O |
| InChIKey | SSAMIOWVUGBIJK-UHFFFAOYSA-N |
Product Overview
3,5-Bis(4-nitrobenzylidene)tetrahydro-4h-thiopyran-4-one 1,1-dioxide (CAS 108477-18-5), with molecular formula C19H14N2O7S and molecular weight 414.05 g/mol. IUPAC: 3,5-bis[(4-nitrophenyl)methylidene]-1,1-dioxothian-4-one.
Chemical Property Profile of 3,5-Bis(4-nitrobenzylidene)tetrahydro-4h-thiopyran-4-one 1,1-dioxide
Property Insights of 3,5-Bis(4-nitrobenzylidene)tetrahydro-4h-thiopyran-4-one 1,1-dioxide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Bis(4-nitrobenzylidene)tetrahydro-4h-thiopyran-4-one 1,1-dioxide. The TPSA of 151.0 Ų indicates high polarity, suggesting 3,5-Bis(4-nitrobenzylidene)tetrahydro-4h-thiopyran-4-one 1,1-dioxide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,5-Bis(4-nitrobenzylidene)tetrahydro-4h-thiopyran-4-one 1,1-dioxide has 0 hydrogen bond donor(s) and 7 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-Bis(4-nitrobenzylidene)tetrahydro-4h-thiopyran-4-one 1,1-dioxide?
The CAS number of 3,5-Bis(4-nitrobenzylidene)tetrahydro-4h-thiopyran-4-one 1,1-dioxide is 108477-18-5.
What is the molecular formula of 3,5-Bis(4-nitrobenzylidene)tetrahydro-4h-thiopyran-4-one 1,1-dioxide?
The molecular formula of 3,5-Bis(4-nitrobenzylidene)tetrahydro-4h-thiopyran-4-one 1,1-dioxide is C19H14N2O7S.
What is the molecular weight of 3,5-Bis(4-nitrobenzylidene)tetrahydro-4h-thiopyran-4-one 1,1-dioxide?
The molecular weight of 3,5-Bis(4-nitrobenzylidene)tetrahydro-4h-thiopyran-4-one 1,1-dioxide is 414.05 g/mol.
Where can I buy 3,5-Bis(4-nitrobenzylidene)tetrahydro-4h-thiopyran-4-one 1,1-dioxide?
You can request a quote for 3,5-Bis(4-nitrobenzylidene)tetrahydro-4h-thiopyran-4-one 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Bis(4-nitrobenzylidene)tetrahydro-4h-thiopyran-4-one 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Bis(4-nitrobenzylidene)tetrahydro-4h-thiopyran-4-one 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.