Trifluoperazine methiodide
TL;DR: Trifluoperazine methiodide (CAS 31599-79-8) is a chemical compound with molecular formula C22H27F3IN3S and molecular weight 549.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-[3-(4,4-dimethylpiperazin-4-ium-1-yl)propyl]-2-(trifluoromethyl)phenothiazine iodide
Also Known As: Trifluoperazine methiodide, KST-1B2995, 1,1-Dimethyl-4-(3-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)propyl)piperazinium iodide, 1,1-dimethyl-4-{3-[2-(trifluoromethyl)-10h-phenothiazin-10-yl]propyl}piperazin-1-ium iodide, Piperazinium, 1,1-dimethyl-4-(3-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)propyl)-, iodide
| Molecular Formula | C22H27F3IN3S |
|---|---|
| Molecular Weight | 549.09 g/mol |
| LogP | 2.0942 |
| Topological Polar Surface Area | 31.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 549.0922 |
| Heavy Atoms | 30 |
| Complexity | 546.0 |
Chemical Identifiers
| CAS Number | 31599-79-8 |
|---|---|
| SMILES | C[N+]1(CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)C.[I-] |
| InChIKey | XUANCHTZXRSFOL-UHFFFAOYSA-M |
Product Overview
Trifluoperazine methiodide (CAS 31599-79-8), with molecular formula C22H27F3IN3S and molecular weight 549.09 g/mol. IUPAC: 10-[3-(4,4-dimethylpiperazin-4-ium-1-yl)propyl]-2-(trifluoromethyl)phenothiazine iodide.
Chemical Property Profile of Trifluoperazine methiodide
Property Insights of Trifluoperazine methiodide
The XLogP value of 2.0942 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trifluoperazine methiodide. With a topological polar surface area (TPSA) of 31.8 Ų, Trifluoperazine methiodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trifluoperazine methiodide has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Trifluoperazine methiodide?
The CAS number of Trifluoperazine methiodide is 31599-79-8.
What is the molecular formula of Trifluoperazine methiodide?
The molecular formula of Trifluoperazine methiodide is C22H27F3IN3S.
What is the molecular weight of Trifluoperazine methiodide?
The molecular weight of Trifluoperazine methiodide is 549.09 g/mol.
Where can I buy Trifluoperazine methiodide?
You can request a quote for Trifluoperazine methiodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trifluoperazine methiodide?
Yes, KEHONG BIO provides custom synthesis services for Trifluoperazine methiodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.