2,7-dinitro-9H-thioxanthene
TL;DR: 2,7-dinitro-9H-thioxanthene (CAS 412339-78-7) is a chemical compound with molecular formula C13H8N2O4S and molecular weight 288.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,7-dinitro-9H-thioxanthene
Also Known As: 2,7-dinitro-9H-thioxanthene, AO-436/40882370
| Molecular Formula | C13H8N2O4S |
|---|---|
| Molecular Weight | 288.02 g/mol |
| LogP | 3.5584 |
| Topological Polar Surface Area | 86.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 288.02048 |
| Heavy Atoms | 20 |
| Complexity | 683.6462 |
Chemical Identifiers
| CAS Number | 412339-78-7 |
|---|---|
| SMILES | C1C2=C(C=CC(=C2)[N+](=O)[O-])SC3=C1C=C(C=C3)[N+](=O)[O-] |
Product Overview
2,7-dinitro-9H-thioxanthene (CAS 412339-78-7), with molecular formula C13H8N2O4S and molecular weight 288.02 g/mol. IUPAC: 2,7-dinitro-9H-thioxanthene.
Chemical Property Profile of 2,7-dinitro-9H-thioxanthene
Property Insights of 2,7-dinitro-9H-thioxanthene
The XLogP value of 3.5584 indicates that 2,7-dinitro-9H-thioxanthene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,7-dinitro-9H-thioxanthene. Following Lipinski's Rule of Five, 2,7-dinitro-9H-thioxanthene has 0 hydrogen bond donor(s) and 5 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 2,7-dinitro-9H-thioxanthene?
The CAS number of 2,7-dinitro-9H-thioxanthene is 412339-78-7.
What is the molecular formula of 2,7-dinitro-9H-thioxanthene?
The molecular formula of 2,7-dinitro-9H-thioxanthene is C13H8N2O4S.
What is the molecular weight of 2,7-dinitro-9H-thioxanthene?
The molecular weight of 2,7-dinitro-9H-thioxanthene is 288.02 g/mol.
Where can I buy 2,7-dinitro-9H-thioxanthene?
You can request a quote for 2,7-dinitro-9H-thioxanthene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,7-dinitro-9H-thioxanthene?
Yes, KEHONG BIO provides custom synthesis services for 2,7-dinitro-9H-thioxanthene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.