1,3,7,9-Tetranitrophenothiazine,5-oxide
TL;DR: 1,3,7,9-Tetranitrophenothiazine,5-oxide (CAS 27050-53-9) is a chemical compound with molecular formula C12H5N5O9S and molecular weight 394.98 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-oxide
Also Known As: 1,3,7,9-Tetranitrophenothiazine,5-oxide, Ex217, 1,3,7,9-Tetranitrophenothiazine 5-oxide, 1,3,7,9-tetranitro-10H-phenothiazine 5-oxide, 1,3,7,9-Tetranitro-5lambda~4~-phenothiazin-5(10H)-one
| Molecular Formula | C12H5N5O9S |
|---|---|
| Molecular Weight | 394.98 g/mol |
| LogP | 2.5431 |
| Topological Polar Surface Area | 201.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.9808 |
| Heavy Atoms | 27 |
| Complexity | 1015.6547 |
Chemical Identifiers
| CAS Number | 27050-53-9 |
|---|---|
| SMILES | C1=C(C=C2C(=C1[N+](=O)[O-])NC3=C(C=C(C=C3S2=O)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
1,3,7,9-Tetranitrophenothiazine,5-oxide (CAS 27050-53-9), with molecular formula C12H5N5O9S and molecular weight 394.98 g/mol. IUPAC: 1,3,7,9-tetranitro-10H-phenothiazine 5-oxide.
Chemical Property Profile of 1,3,7,9-Tetranitrophenothiazine,5-oxide
Property Insights of 1,3,7,9-Tetranitrophenothiazine,5-oxide
The XLogP value of 2.5431 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,7,9-Tetranitrophenothiazine,5-oxide. The TPSA of 201.66 Ų indicates high polarity, suggesting 1,3,7,9-Tetranitrophenothiazine,5-oxide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3,7,9-Tetranitrophenothiazine,5-oxide has 1 hydrogen bond donor(s) and 10 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 1,3,7,9-Tetranitrophenothiazine,5-oxide?
The CAS number of 1,3,7,9-Tetranitrophenothiazine,5-oxide is 27050-53-9.
What is the molecular formula of 1,3,7,9-Tetranitrophenothiazine,5-oxide?
The molecular formula of 1,3,7,9-Tetranitrophenothiazine,5-oxide is C12H5N5O9S.
What is the molecular weight of 1,3,7,9-Tetranitrophenothiazine,5-oxide?
The molecular weight of 1,3,7,9-Tetranitrophenothiazine,5-oxide is 394.98 g/mol.
Where can I buy 1,3,7,9-Tetranitrophenothiazine,5-oxide?
You can request a quote for 1,3,7,9-Tetranitrophenothiazine,5-oxide 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-Tetranitrophenothiazine,5-oxide?
Yes, KEHONG BIO provides custom synthesis services for 1,3,7,9-Tetranitrophenothiazine,5-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.