2-Chloro-1-(2-trifluoromethyl-phenothiazin-10-yl)-ethanone
TL;DR: 2-Chloro-1-(2-trifluoromethyl-phenothiazin-10-yl)-ethanone (CAS 51934-41-9) is a chemical compound with molecular formula C15H9ClF3NOS and molecular weight 343.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone
Also Known As: Ethyl 4-iodobenzoate, 2-Chloro-1-(2-trifluoromethyl-phenothiazin-10-yl)-ethanone, NCIOpen2_008372, 2-CHLORO-1- -ETHANONE, TIMTEC-BB SBB001855
| Molecular Formula | C15H9ClF3NOS |
|---|---|
| Molecular Weight | 343.00 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 343.00455 |
| Heavy Atoms | 22 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 51934-41-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N(C3=C(S2)C=CC(=C3)C(F)(F)F)C(=O)CCl |
| InChIKey | NAQGVVKCOQMRPX-UHFFFAOYSA-N |
Product Overview
2-Chloro-1-(2-trifluoromethyl-phenothiazin-10-yl)-ethanone (CAS 51934-41-9), with molecular formula C15H9ClF3NOS and molecular weight 343.00 g/mol. IUPAC: 2-chloro-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone.
Chemical Property Profile of 2-Chloro-1-(2-trifluoromethyl-phenothiazin-10-yl)-ethanone
Property Insights of 2-Chloro-1-(2-trifluoromethyl-phenothiazin-10-yl)-ethanone
The XLogP value of 4.5 indicates that 2-Chloro-1-(2-trifluoromethyl-phenothiazin-10-yl)-ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.6 Ų, 2-Chloro-1-(2-trifluoromethyl-phenothiazin-10-yl)-ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-1-(2-trifluoromethyl-phenothiazin-10-yl)-ethanone has 0 hydrogen bond donor(s) and 5 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 2-Chloro-1-(2-trifluoromethyl-phenothiazin-10-yl)-ethanone?
The CAS number of 2-Chloro-1-(2-trifluoromethyl-phenothiazin-10-yl)-ethanone is 51934-41-9.
What is the molecular formula of 2-Chloro-1-(2-trifluoromethyl-phenothiazin-10-yl)-ethanone?
The molecular formula of 2-Chloro-1-(2-trifluoromethyl-phenothiazin-10-yl)-ethanone is C15H9ClF3NOS.
What is the molecular weight of 2-Chloro-1-(2-trifluoromethyl-phenothiazin-10-yl)-ethanone?
The molecular weight of 2-Chloro-1-(2-trifluoromethyl-phenothiazin-10-yl)-ethanone is 343.00 g/mol.
Where can I buy 2-Chloro-1-(2-trifluoromethyl-phenothiazin-10-yl)-ethanone?
You can request a quote for 2-Chloro-1-(2-trifluoromethyl-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 2-Chloro-1-(2-trifluoromethyl-phenothiazin-10-yl)-ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-1-(2-trifluoromethyl-phenothiazin-10-yl)-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.