RefChem:1084453
TL;DR: RefChem:1084453 (CAS 5318-27-4) is a chemical compound with molecular formula C23H28ClF3N2O2S and molecular weight 488.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperidin-4-yl]oxyethanol;hydrochloride
Also Known As: Ethanol, 2-((1-(3-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)propyl)-4-piperidinyl)oxy)-, monohydrochloride, 10-(3-(4-(beta-Hydroxyethoxy)piperidino)propyl)-2-trifluoromethyl-phenothiazine hydrochloride, 2-[(1-{3-[2-(trifluoromethyl)-10h-phenothiazin-10-yl]propyl}piperidin-4-yl)oxy]ethanol hydrochloride(1:1), 10-<3-<4-(2-Hydroxyaethoxy)-piperidino>-propyl>-2-trifluormethyl-phenothiazin, 10-[3-(4-beta-hydroxyethoxypiperidino) propyl]-2-trifluoromethyl-phenothiazine hydrochloride
| Molecular Formula | C23H28ClF3N2O2S |
|---|---|
| Molecular Weight | 488.15 g/mol |
| LogP | 5.5933 |
| Topological Polar Surface Area | 61.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 488.1512 |
| Heavy Atoms | 32 |
| Complexity | 559.0 |
Chemical Identifiers
| CAS Number | 5318-27-4 |
|---|---|
| SMILES | C1CN(CCC1OCCO)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F.Cl |
| InChIKey | QWXKHVDQVSGSIQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:1084453 (CAS 5318-27-4), with molecular formula C23H28ClF3N2O2S and molecular weight 488.15 g/mol. IUPAC: 2-[1-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperidin-4-yl]oxyethanol;hydrochloride.
Chemical Property Profile of RefChem:1084453
Property Insights of RefChem:1084453
The XLogP value of 5.5933 indicates that RefChem:1084453 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1084453. Following Lipinski's Rule of Five, RefChem:1084453 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1084453?
The CAS number of RefChem:1084453 is 5318-27-4.
What is the molecular formula of RefChem:1084453?
The molecular formula of RefChem:1084453 is C23H28ClF3N2O2S.
What is the molecular weight of RefChem:1084453?
The molecular weight of RefChem:1084453 is 488.15 g/mol.
Where can I buy RefChem:1084453?
You can request a quote for RefChem:1084453 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1084453?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1084453 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.