![2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl adamantane-1-carboxylate structure](/static/products/1723/17231-42-4.webp)
2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl adamantane-1-carboxylate
TL;DR: 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl adamantane-1-carboxylate (CAS 17231-42-4) is a chemical compound with molecular formula C33H40F3N3O2S and molecular weight 599.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl adamantane-1-carboxylate
Also Known As: 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl adamantane-1-carboxylate, 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]pipera, 2-(4-{3-[2-(TRIFLUOROMETHYL)-10H-PHENOTHIAZIN-10-YL]PROPYL}PIPERAZIN-1-YL)ETHYL ADAMANTANE-1-CARBOXYLATE, Tricyclo[3.3.1.13,7]decane-1-carboxylic acid, 2-[4-[3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl]-1-piperazinyl]ethyl ester
| Molecular Formula | C33H40F3N3O2S |
|---|---|
| Molecular Weight | 599.28 g/mol |
| LogP | 7.5 |
| Topological Polar Surface Area | 61.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 599.27936 |
| Heavy Atoms | 42 |
| Complexity | 916.0 |
Chemical Identifiers
| CAS Number | 17231-42-4 |
|---|---|
| SMILES | C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCOC(=O)C56CC7CC(C5)CC(C7)C6 |
| InChIKey | NDLJYJKORNFJMW-UHFFFAOYSA-N |
Product Overview
2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl adamantane-1-carboxylate (CAS 17231-42-4), with molecular formula C33H40F3N3O2S and molecular weight 599.28 g/mol. IUPAC: 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl adamantane-1-carboxylate.
Chemical Property Profile of 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl adamantane-1-carboxylate
Property Insights of 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl adamantane-1-carboxylate
The XLogP value of 7.5 indicates that 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl adamantane-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl adamantane-1-carboxylate. Following Lipinski's Rule of Five, 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl adamantane-1-carboxylate has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl adamantane-1-carboxylate?
The CAS number of 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl adamantane-1-carboxylate is 17231-42-4.
What is the molecular formula of 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl adamantane-1-carboxylate?
The molecular formula of 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl adamantane-1-carboxylate is C33H40F3N3O2S.
What is the molecular weight of 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl adamantane-1-carboxylate?
The molecular weight of 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl adamantane-1-carboxylate is 599.28 g/mol.
Where can I buy 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl adamantane-1-carboxylate?
You can request a quote for 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl adamantane-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl adamantane-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl adamantane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.