Dediethylftoracizin
TL;DR: Dediethylftoracizin (CAS 40550-34-3) is a chemical compound with molecular formula C16H13F3N2OS and molecular weight 338.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-1-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-one
Also Known As: Dediethylftoracizin, ChemDiv1_023197, 3-amino-1-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-one, BAS 02138741, 10-(beta-Aminopropionyl)-2-trifluoromethylphenothiazine
| Molecular Formula | C16H13F3N2OS |
|---|---|
| Molecular Weight | 338.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 71.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 338.07007 |
| Heavy Atoms | 23 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 40550-34-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N(C3=C(S2)C=CC(=C3)C(F)(F)F)C(=O)CCN |
| InChIKey | QVEUKHRUDUMXID-UHFFFAOYSA-N |
Product Overview
Dediethylftoracizin (CAS 40550-34-3), with molecular formula C16H13F3N2OS and molecular weight 338.07 g/mol. IUPAC: 3-amino-1-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-one.
Chemical Property Profile of Dediethylftoracizin
Property Insights of Dediethylftoracizin
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dediethylftoracizin. The TPSA of 71.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Dediethylftoracizin. Following Lipinski's Rule of Five, Dediethylftoracizin 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 Dediethylftoracizin?
The CAS number of Dediethylftoracizin is 40550-34-3.
What is the molecular formula of Dediethylftoracizin?
The molecular formula of Dediethylftoracizin is C16H13F3N2OS.
What is the molecular weight of Dediethylftoracizin?
The molecular weight of Dediethylftoracizin is 338.07 g/mol.
Where can I buy Dediethylftoracizin?
You can request a quote for Dediethylftoracizin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dediethylftoracizin?
Yes, KEHONG BIO provides custom synthesis services for Dediethylftoracizin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.