3,7-dinitro-10H-phenothiazine
TL;DR: 3,7-dinitro-10H-phenothiazine (CAS 1747-90-6) is a chemical compound with molecular formula C12H7N3O4S and molecular weight 289.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dinitro-10H-phenothiazine
Also Known As: 3,7-dinitro-10H-phenothiazine, 3,7-dinitrophenothiazine, 10H-Phenothiazine, 3,7-dinitro-, Methylene blue Impurity 2, Phenothiazine, 3,7-dinitro-
| Molecular Formula | C12H7N3O4S |
|---|---|
| Molecular Weight | 289.02 g/mol |
| LogP | 3.7112 |
| Topological Polar Surface Area | 98.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 289.01572 |
| Heavy Atoms | 20 |
| Complexity | 685.9775 |
Chemical Identifiers
| CAS Number | 1747-90-6 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])SC3=C(N2)C=CC(=C3)[N+](=O)[O-] |
Product Overview
3,7-dinitro-10H-phenothiazine (CAS 1747-90-6), with molecular formula C12H7N3O4S and molecular weight 289.02 g/mol. IUPAC: 3,7-dinitro-10H-phenothiazine.
Chemical Property Profile of 3,7-dinitro-10H-phenothiazine
Property Insights of 3,7-dinitro-10H-phenothiazine
The XLogP value of 3.7112 indicates that 3,7-dinitro-10H-phenothiazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,7-dinitro-10H-phenothiazine. Following Lipinski's Rule of Five, 3,7-dinitro-10H-phenothiazine 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-10H-phenothiazine?
The CAS number of 3,7-dinitro-10H-phenothiazine is 1747-90-6.
What is the molecular formula of 3,7-dinitro-10H-phenothiazine?
The molecular formula of 3,7-dinitro-10H-phenothiazine is C12H7N3O4S.
What is the molecular weight of 3,7-dinitro-10H-phenothiazine?
The molecular weight of 3,7-dinitro-10H-phenothiazine is 289.02 g/mol.
Where can I buy 3,7-dinitro-10H-phenothiazine?
You can request a quote for 3,7-dinitro-10H-phenothiazine 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-10H-phenothiazine?
Yes, KEHONG BIO provides custom synthesis services for 3,7-dinitro-10H-phenothiazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.