![4-methylbenzenesulfonic acid; 10-[3-[4-(2-pyridin-1-ium-1-ylethyl)piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine structure](/static/products/6642/66422-02-4.webp)
4-methylbenzenesulfonic acid; 10-[3-[4-(2-pyridin-1-ium-1-ylethyl)piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine
TL;DR: 4-methylbenzenesulfonic acid; 10-[3-[4-(2-pyridin-1-ium-1-ylethyl)piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine (CAS 66422-02-4) is a chemical compound with molecular formula C34H38F3N4O3S2+ and molecular weight 671.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylbenzenesulfonic acid;10-[3-[4-(2-pyridin-1-ium-1-ylethyl)piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine
Also Known As: 4-methylbenzenesulfonic acid; 10-[3-[4-(2-pyridin-1-ium-1-ylethyl)piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine, 4-methylbenzenesulfonic acid;10-[3-[4-(2-pyridin-1-ium-1-ylethyl)piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine
| Molecular Formula | C34H38F3N4O3S2+ |
|---|---|
| Molecular Weight | 671.23 g/mol |
| LogP | 6.54522 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 671.23376 |
| Heavy Atoms | 46 |
| Complexity | 857.0 |
Chemical Identifiers
| CAS Number | 66422-02-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CC[N+]5=CC=CC=C5 |
| InChIKey | ASEFHLODXOPJGL-UHFFFAOYSA-N |
Product Overview
4-methylbenzenesulfonic acid; 10-[3-[4-(2-pyridin-1-ium-1-ylethyl)piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine (CAS 66422-02-4), with molecular formula C34H38F3N4O3S2+ and molecular weight 671.23 g/mol. IUPAC: 4-methylbenzenesulfonic acid;10-[3-[4-(2-pyridin-1-ium-1-ylethyl)piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine.
Chemical Property Profile of 4-methylbenzenesulfonic acid; 10-[3-[4-(2-pyridin-1-ium-1-ylethyl)piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine
Property Insights of 4-methylbenzenesulfonic acid; 10-[3-[4-(2-pyridin-1-ium-1-ylethyl)piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine
The XLogP value of 6.54522 indicates that 4-methylbenzenesulfonic acid; 10-[3-[4-(2-pyridin-1-ium-1-ylethyl)piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methylbenzenesulfonic acid; 10-[3-[4-(2-pyridin-1-ium-1-ylethyl)piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine. Following Lipinski's Rule of Five, 4-methylbenzenesulfonic acid; 10-[3-[4-(2-pyridin-1-ium-1-ylethyl)piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-methylbenzenesulfonic acid; 10-[3-[4-(2-pyridin-1-ium-1-ylethyl)piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine?
The CAS number of 4-methylbenzenesulfonic acid; 10-[3-[4-(2-pyridin-1-ium-1-ylethyl)piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine is 66422-02-4.
What is the molecular formula of 4-methylbenzenesulfonic acid; 10-[3-[4-(2-pyridin-1-ium-1-ylethyl)piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine?
The molecular formula of 4-methylbenzenesulfonic acid; 10-[3-[4-(2-pyridin-1-ium-1-ylethyl)piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine is C34H38F3N4O3S2+.
What is the molecular weight of 4-methylbenzenesulfonic acid; 10-[3-[4-(2-pyridin-1-ium-1-ylethyl)piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine?
The molecular weight of 4-methylbenzenesulfonic acid; 10-[3-[4-(2-pyridin-1-ium-1-ylethyl)piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine is 671.23 g/mol.
Where can I buy 4-methylbenzenesulfonic acid; 10-[3-[4-(2-pyridin-1-ium-1-ylethyl)piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine?
You can request a quote for 4-methylbenzenesulfonic acid; 10-[3-[4-(2-pyridin-1-ium-1-ylethyl)piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methylbenzenesulfonic acid; 10-[3-[4-(2-pyridin-1-ium-1-ylethyl)piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine?
Yes, KEHONG BIO provides custom synthesis services for 4-methylbenzenesulfonic acid; 10-[3-[4-(2-pyridin-1-ium-1-ylethyl)piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.