1,4-Dithiin, 2,5-dinitro-3,6-diphenyl-
TL;DR: 1,4-Dithiin, 2,5-dinitro-3,6-diphenyl- (CAS 7402-85-9) is a chemical compound with molecular formula C16H10N2O4S2 and molecular weight 358.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dinitro-3,6-diphenyl-1,4-dithiine
Also Known As: 1,4-Dithiin, 2,5-dinitro-3,6-diphenyl-, 2,5-dinitro-3,6-diphenyl-1,4-dithiine, 2,5-Dinitro-3,6-diphenyl-1,4-dithiin
| Molecular Formula | C16H10N2O4S2 |
|---|---|
| Molecular Weight | 358.01 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 358.0082 |
| Heavy Atoms | 24 |
| Complexity | 528.0 |
Chemical Identifiers
| CAS Number | 7402-85-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(SC(=C(S2)[N+](=O)[O-])C3=CC=CC=C3)[N+](=O)[O-] |
| InChIKey | WOGCYZTZJIAEQP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Dithiin, 2,5-dinitro-3,6-diphenyl- (CAS 7402-85-9), with molecular formula C16H10N2O4S2 and molecular weight 358.01 g/mol. IUPAC: 2,5-dinitro-3,6-diphenyl-1,4-dithiine.
Chemical Property Profile of 1,4-Dithiin, 2,5-dinitro-3,6-diphenyl-
Property Insights of 1,4-Dithiin, 2,5-dinitro-3,6-diphenyl-
The XLogP value of 4.7 indicates that 1,4-Dithiin, 2,5-dinitro-3,6-diphenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.0 Ų indicates high polarity, suggesting 1,4-Dithiin, 2,5-dinitro-3,6-diphenyl- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,4-Dithiin, 2,5-dinitro-3,6-diphenyl- 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 1,4-Dithiin, 2,5-dinitro-3,6-diphenyl-?
The CAS number of 1,4-Dithiin, 2,5-dinitro-3,6-diphenyl- is 7402-85-9.
What is the molecular formula of 1,4-Dithiin, 2,5-dinitro-3,6-diphenyl-?
The molecular formula of 1,4-Dithiin, 2,5-dinitro-3,6-diphenyl- is C16H10N2O4S2.
What is the molecular weight of 1,4-Dithiin, 2,5-dinitro-3,6-diphenyl-?
The molecular weight of 1,4-Dithiin, 2,5-dinitro-3,6-diphenyl- is 358.01 g/mol.
Where can I buy 1,4-Dithiin, 2,5-dinitro-3,6-diphenyl-?
You can request a quote for 1,4-Dithiin, 2,5-dinitro-3,6-diphenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dithiin, 2,5-dinitro-3,6-diphenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dithiin, 2,5-dinitro-3,6-diphenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.