10-{4-nitrobenzoyl}-2-(trifluoromethyl)-10H-phenothiazine
TL;DR: 10-{4-nitrobenzoyl}-2-(trifluoromethyl)-10H-phenothiazine (CAS 331840-97-2) is a chemical compound with molecular formula C20H11F3N2O3S and molecular weight 416.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl)-[2-(trifluoromethyl)phenothiazin-10-yl]methanone
Also Known As: 10-{4-nitrobenzoyl}-2-(trifluoromethyl)-10H-phenothiazine, BAS 00619894, (4-nitrophenyl)-[2-(trifluoromethyl)phenothiazin-10-yl]methanone, 4-nitrophenyl 2-(trifluoromethyl)phenothiazin-10-yl ketone, 10-(4-NITROBENZOYL)-2-(TRIFLUOROMETHYL)PHENOTHIAZINE
| Molecular Formula | C20H11F3N2O3S |
|---|---|
| Molecular Weight | 416.04 g/mol |
| LogP | 6.0567 |
| Topological Polar Surface Area | 63.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 416.04425 |
| Heavy Atoms | 29 |
| Complexity | 1130.5605 |
Chemical Identifiers
| CAS Number | 331840-97-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N(C3=C(S2)C=CC(=C3)C(F)(F)F)C(=O)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
10-{4-nitrobenzoyl}-2-(trifluoromethyl)-10H-phenothiazine (CAS 331840-97-2), with molecular formula C20H11F3N2O3S and molecular weight 416.04 g/mol. IUPAC: (4-nitrophenyl)-[2-(trifluoromethyl)phenothiazin-10-yl]methanone.
Chemical Property Profile of 10-{4-nitrobenzoyl}-2-(trifluoromethyl)-10H-phenothiazine
Property Insights of 10-{4-nitrobenzoyl}-2-(trifluoromethyl)-10H-phenothiazine
The XLogP value of 6.0567 indicates that 10-{4-nitrobenzoyl}-2-(trifluoromethyl)-10H-phenothiazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 10-{4-nitrobenzoyl}-2-(trifluoromethyl)-10H-phenothiazine. Following Lipinski's Rule of Five, 10-{4-nitrobenzoyl}-2-(trifluoromethyl)-10H-phenothiazine has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 10-{4-nitrobenzoyl}-2-(trifluoromethyl)-10H-phenothiazine?
The CAS number of 10-{4-nitrobenzoyl}-2-(trifluoromethyl)-10H-phenothiazine is 331840-97-2.
What is the molecular formula of 10-{4-nitrobenzoyl}-2-(trifluoromethyl)-10H-phenothiazine?
The molecular formula of 10-{4-nitrobenzoyl}-2-(trifluoromethyl)-10H-phenothiazine is C20H11F3N2O3S.
What is the molecular weight of 10-{4-nitrobenzoyl}-2-(trifluoromethyl)-10H-phenothiazine?
The molecular weight of 10-{4-nitrobenzoyl}-2-(trifluoromethyl)-10H-phenothiazine is 416.04 g/mol.
Where can I buy 10-{4-nitrobenzoyl}-2-(trifluoromethyl)-10H-phenothiazine?
You can request a quote for 10-{4-nitrobenzoyl}-2-(trifluoromethyl)-10H-phenothiazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10-{4-nitrobenzoyl}-2-(trifluoromethyl)-10H-phenothiazine?
Yes, KEHONG BIO provides custom synthesis services for 10-{4-nitrobenzoyl}-2-(trifluoromethyl)-10H-phenothiazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.