(3,6-Diphenyl-1,4-dithiin-2-yl)(hydroxy)azane oxide
TL;DR: (3,6-Diphenyl-1,4-dithiin-2-yl)(hydroxy)azane oxide (CAS 701-05-3) is a chemical compound with molecular formula C16H11NO2S2 and molecular weight 313.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-2,5-diphenyl-1,4-dithiine
Also Known As: 3-nitro-2,5-diphenyl-1,4-dithiine, (3,6-Diphenyl-1,4-dithiin-2-yl)(hydroxy)azane oxide, 3-Nitro-2,5-diphenyl-1,4-dithiin, 1,4-Dithiin,3-nitro-2,5-diphenyl-, 1,4-Dithiin, 3-nitro-2,5-diphenyl-
| Molecular Formula | C16H11NO2S2 |
|---|---|
| Molecular Weight | 313.02 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 96.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 313.02313 |
| Heavy Atoms | 21 |
| Complexity | 455.0 |
Chemical Identifiers
| CAS Number | 701-05-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CSC(=C(S2)[N+](=O)[O-])C3=CC=CC=C3 |
| InChIKey | FFCLAVOZKABAOD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(3,6-Diphenyl-1,4-dithiin-2-yl)(hydroxy)azane oxide (CAS 701-05-3), with molecular formula C16H11NO2S2 and molecular weight 313.02 g/mol. IUPAC: 3-nitro-2,5-diphenyl-1,4-dithiine.
Chemical Property Profile of (3,6-Diphenyl-1,4-dithiin-2-yl)(hydroxy)azane oxide
Property Insights of (3,6-Diphenyl-1,4-dithiin-2-yl)(hydroxy)azane oxide
The XLogP value of 4.6 indicates that (3,6-Diphenyl-1,4-dithiin-2-yl)(hydroxy)azane oxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (3,6-Diphenyl-1,4-dithiin-2-yl)(hydroxy)azane oxide. Following Lipinski's Rule of Five, (3,6-Diphenyl-1,4-dithiin-2-yl)(hydroxy)azane oxide has 0 hydrogen bond donor(s) and 4 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 (3,6-Diphenyl-1,4-dithiin-2-yl)(hydroxy)azane oxide?
The CAS number of (3,6-Diphenyl-1,4-dithiin-2-yl)(hydroxy)azane oxide is 701-05-3.
What is the molecular formula of (3,6-Diphenyl-1,4-dithiin-2-yl)(hydroxy)azane oxide?
The molecular formula of (3,6-Diphenyl-1,4-dithiin-2-yl)(hydroxy)azane oxide is C16H11NO2S2.
What is the molecular weight of (3,6-Diphenyl-1,4-dithiin-2-yl)(hydroxy)azane oxide?
The molecular weight of (3,6-Diphenyl-1,4-dithiin-2-yl)(hydroxy)azane oxide is 313.02 g/mol.
Where can I buy (3,6-Diphenyl-1,4-dithiin-2-yl)(hydroxy)azane oxide?
You can request a quote for (3,6-Diphenyl-1,4-dithiin-2-yl)(hydroxy)azane oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3,6-Diphenyl-1,4-dithiin-2-yl)(hydroxy)azane oxide?
Yes, KEHONG BIO provides custom synthesis services for (3,6-Diphenyl-1,4-dithiin-2-yl)(hydroxy)azane oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.