1-(3,7-Dinitro-10h-phenothiazin-10-yl)ethanone
TL;DR: 1-(3,7-Dinitro-10h-phenothiazin-10-yl)ethanone (CAS 16358-34-2) is a chemical compound with molecular formula C14H9N3O5S and molecular weight 331.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,7-dinitrophenothiazin-10-yl)ethanone
Also Known As: 1-(3,7-dinitro-10h-phenothiazin-10-yl)ethanone, 1-(3,7-dinitrophenothiazin-10-yl)ethanone, 10-acetyl-3,7-dinitrophenothiazine, 3,7-dinitro-10-acetylphenothiazine, 3,7-Dinitro-10-acetyl-phenothiazine
| Molecular Formula | C14H9N3O5S |
|---|---|
| Molecular Weight | 331.03 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 331.0263 |
| Heavy Atoms | 23 |
| Complexity | 482.0 |
Chemical Identifiers
| CAS Number | 16358-34-2 |
|---|---|
| SMILES | CC(=O)N1C2=C(C=C(C=C2)[N+](=O)[O-])SC3=C1C=CC(=C3)[N+](=O)[O-] |
| InChIKey | VUWDHXCPXJCIJQ-UHFFFAOYSA-N |
Product Overview
1-(3,7-Dinitro-10h-phenothiazin-10-yl)ethanone (CAS 16358-34-2), with molecular formula C14H9N3O5S and molecular weight 331.03 g/mol. IUPAC: 1-(3,7-dinitrophenothiazin-10-yl)ethanone.
Chemical Property Profile of 1-(3,7-Dinitro-10h-phenothiazin-10-yl)ethanone
Property Insights of 1-(3,7-Dinitro-10h-phenothiazin-10-yl)ethanone
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,7-Dinitro-10h-phenothiazin-10-yl)ethanone. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,7-Dinitro-10h-phenothiazin-10-yl)ethanone. Following Lipinski's Rule of Five, 1-(3,7-Dinitro-10h-phenothiazin-10-yl)ethanone has 0 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 1-(3,7-Dinitro-10h-phenothiazin-10-yl)ethanone?
The CAS number of 1-(3,7-Dinitro-10h-phenothiazin-10-yl)ethanone is 16358-34-2.
What is the molecular formula of 1-(3,7-Dinitro-10h-phenothiazin-10-yl)ethanone?
The molecular formula of 1-(3,7-Dinitro-10h-phenothiazin-10-yl)ethanone is C14H9N3O5S.
What is the molecular weight of 1-(3,7-Dinitro-10h-phenothiazin-10-yl)ethanone?
The molecular weight of 1-(3,7-Dinitro-10h-phenothiazin-10-yl)ethanone is 331.03 g/mol.
Where can I buy 1-(3,7-Dinitro-10h-phenothiazin-10-yl)ethanone?
You can request a quote for 1-(3,7-Dinitro-10h-phenothiazin-10-yl)ethanone 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-Dinitro-10h-phenothiazin-10-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,7-Dinitro-10h-phenothiazin-10-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.