1,3,7,9-Tetranitro-10H-phenothiazine 5,5-dioxide
TL;DR: 1,3,7,9-Tetranitro-10H-phenothiazine 5,5-dioxide (CAS 34112-76-0) is a chemical compound with molecular formula C12H5N5O10S and molecular weight 410.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,7,9-tetranitro-10H-phenothiazine 5,5-dioxide
Also Known As: 1,3,7,9-Tetranitro-10H-phenothiazine 5,5-dioxide, ZERO/000764, BAS 00531857, 1,3,7,9-Tetranitrophenothiazin-5,5-dioxid, 1,3,7,9-tetranitrophenothiazine-5,5-dioxide
| Molecular Formula | C12H5N5O10S |
|---|---|
| Molecular Weight | 410.98 g/mol |
| LogP | 2.2092 |
| Topological Polar Surface Area | 218.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 410.9757 |
| Heavy Atoms | 28 |
| Complexity | 1134.287 |
Chemical Identifiers
| CAS Number | 34112-76-0 |
|---|---|
| SMILES | C1=C(C=C2C(=C1[N+](=O)[O-])NC3=C(C=C(C=C3S2(=O)=O)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
1,3,7,9-Tetranitro-10H-phenothiazine 5,5-dioxide (CAS 34112-76-0), with molecular formula C12H5N5O10S and molecular weight 410.98 g/mol. IUPAC: 1,3,7,9-tetranitro-10H-phenothiazine 5,5-dioxide.
Chemical Property Profile of 1,3,7,9-Tetranitro-10H-phenothiazine 5,5-dioxide
Property Insights of 1,3,7,9-Tetranitro-10H-phenothiazine 5,5-dioxide
The XLogP value of 2.2092 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,7,9-Tetranitro-10H-phenothiazine 5,5-dioxide. The TPSA of 218.73 Ų indicates high polarity, suggesting 1,3,7,9-Tetranitro-10H-phenothiazine 5,5-dioxide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3,7,9-Tetranitro-10H-phenothiazine 5,5-dioxide has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3,7,9-Tetranitro-10H-phenothiazine 5,5-dioxide?
The CAS number of 1,3,7,9-Tetranitro-10H-phenothiazine 5,5-dioxide is 34112-76-0.
What is the molecular formula of 1,3,7,9-Tetranitro-10H-phenothiazine 5,5-dioxide?
The molecular formula of 1,3,7,9-Tetranitro-10H-phenothiazine 5,5-dioxide is C12H5N5O10S.
What is the molecular weight of 1,3,7,9-Tetranitro-10H-phenothiazine 5,5-dioxide?
The molecular weight of 1,3,7,9-Tetranitro-10H-phenothiazine 5,5-dioxide is 410.98 g/mol.
Where can I buy 1,3,7,9-Tetranitro-10H-phenothiazine 5,5-dioxide?
You can request a quote for 1,3,7,9-Tetranitro-10H-phenothiazine 5,5-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,7,9-Tetranitro-10H-phenothiazine 5,5-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 1,3,7,9-Tetranitro-10H-phenothiazine 5,5-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.