3,7-Dinitro-5-oxophenothiazine
TL;DR: 3,7-Dinitro-5-oxophenothiazine (CAS 574-81-2) is a chemical compound with molecular formula C12H7N3O5S and molecular weight 305.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dinitro-10H-phenothiazine 5-oxide
Also Known As: 3,7-Dinitro-5-oxophenothiazine, 3,7-Dinitrophenothiazine 5-oxide, 3,7-dinitro-10H-phenothiazine 5-oxide, Dinitrodiphenylamine sulfoxide, EINECS 209-375-7
| Molecular Formula | C12H7N3O5S |
|---|---|
| Molecular Weight | 305.01 g/mol |
| LogP | 2.7267 |
| Topological Polar Surface Area | 115.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 305.01065 |
| Heavy Atoms | 21 |
| Complexity | 755.03534 |
Chemical Identifiers
| CAS Number | 574-81-2 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])S(=O)C3=C(N2)C=CC(=C3)[N+](=O)[O-] |
Product Overview
3,7-Dinitro-5-oxophenothiazine (CAS 574-81-2), with molecular formula C12H7N3O5S and molecular weight 305.01 g/mol. IUPAC: 3,7-dinitro-10H-phenothiazine 5-oxide.
Chemical Property Profile of 3,7-Dinitro-5-oxophenothiazine
Property Insights of 3,7-Dinitro-5-oxophenothiazine
The XLogP value of 2.7267 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,7-Dinitro-5-oxophenothiazine. The TPSA of 115.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,7-Dinitro-5-oxophenothiazine. Following Lipinski's Rule of Five, 3,7-Dinitro-5-oxophenothiazine 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 3,7-Dinitro-5-oxophenothiazine?
The CAS number of 3,7-Dinitro-5-oxophenothiazine is 574-81-2.
What is the molecular formula of 3,7-Dinitro-5-oxophenothiazine?
The molecular formula of 3,7-Dinitro-5-oxophenothiazine is C12H7N3O5S.
What is the molecular weight of 3,7-Dinitro-5-oxophenothiazine?
The molecular weight of 3,7-Dinitro-5-oxophenothiazine is 305.01 g/mol.
Where can I buy 3,7-Dinitro-5-oxophenothiazine?
You can request a quote for 3,7-Dinitro-5-oxophenothiazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-Dinitro-5-oxophenothiazine?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Dinitro-5-oxophenothiazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.