Doxantrazole
TL;DR: Doxantrazole (CAS 51762-95-9) is a chemical compound with molecular formula C14H8N4O3S and molecular weight 312.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10,10-dioxo-3-(2H-tetrazol-5-yl)thioxanthen-9-one
Also Known As: DOXANTRAZOLE, Doxantrol, 3-(5-tetrazolyl)thioxanthone-10,10-dioxide, 10,10-dioxo-3-(2H-tetrazol-5-yl)thioxanthen-9-one, BAS 00531982
| Molecular Formula | C14H8N4O3S |
|---|---|
| Molecular Weight | 312.03 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 312.0317 |
| Heavy Atoms | 22 |
| Complexity | 561.0 |
Chemical Identifiers
| CAS Number | 51762-95-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C4=NNN=N4 |
| InChIKey | VIDCTSLIEZMQRF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Doxantrazole (CAS 51762-95-9), with molecular formula C14H8N4O3S and molecular weight 312.03 g/mol. IUPAC: 10,10-dioxo-3-(2H-tetrazol-5-yl)thioxanthen-9-one.
Chemical Property Profile of Doxantrazole
Property Insights of Doxantrazole
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Doxantrazole. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Doxantrazole. Following Lipinski's Rule of Five, Doxantrazole has 1 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 Doxantrazole?
The CAS number of Doxantrazole is 51762-95-9.
What is the molecular formula of Doxantrazole?
The molecular formula of Doxantrazole is C14H8N4O3S.
What is the molecular weight of Doxantrazole?
The molecular weight of Doxantrazole is 312.03 g/mol.
Where can I buy Doxantrazole?
You can request a quote for Doxantrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Doxantrazole?
Yes, KEHONG BIO provides custom synthesis services for Doxantrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.