3,8-Diazabicyclo(3.2.1)octane-8-ethanol, 3-(3-(2-trifluoromethylphenothiazin-10-yl)propyl)-, dihydrochloride
TL;DR: 3,8-Diazabicyclo(3.2.1)octane-8-ethanol, 3-(3-(2-trifluoromethylphenothiazin-10-yl)propyl)-, dihydrochloride (CAS 27775-17-3) is a chemical compound with molecular formula C24H30Cl2F3N3OS and molecular weight 535.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]ethanol;dihydrochloride
Also Known As: 3,8-Diazabicyclo(3.2.1)octane-8-ethanol, 3-(3-(2-trifluoromethylphenothiazin-10-yl)propyl)-, dihydrochloride, 2-(3-{3-[2-(Trifluoromethyl)-10H-phenothiazin-10-yl]propyl}-3,8-diazabicyclo[3.2.1]octan-8-yl)ethan-1-ol--hydrogen chloride (1/2), 2-[3-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]ethanol dihydrochloride, 3,8-Diazabicyclo[3.2.1]octane-8-ethanol, 3-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]-, dihydrochloride, RefChem:272747
| Molecular Formula | C24H30Cl2F3N3OS |
|---|---|
| Molecular Weight | 535.14 g/mol |
| LogP | 5.6827 |
| Topological Polar Surface Area | 55.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 535.14386 |
| Heavy Atoms | 34 |
| Complexity | 624.0 |
Chemical Identifiers
| CAS Number | 27775-17-3 |
|---|---|
| SMILES | C1CC2CN(CC1N2CCO)CCCN3C4=CC=CC=C4SC5=C3C=C(C=C5)C(F)(F)F.Cl.Cl |
| InChIKey | VIWGRYXKOCQEGM-UHFFFAOYSA-N |
Product Overview
3,8-Diazabicyclo(3.2.1)octane-8-ethanol, 3-(3-(2-trifluoromethylphenothiazin-10-yl)propyl)-, dihydrochloride (CAS 27775-17-3), with molecular formula C24H30Cl2F3N3OS and molecular weight 535.14 g/mol. IUPAC: 2-[3-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]ethanol;dihydrochloride.
Chemical Property Profile of 3,8-Diazabicyclo(3.2.1)octane-8-ethanol, 3-(3-(2-trifluoromethylphenothiazin-10-yl)propyl)-, dihydrochloride
Property Insights of 3,8-Diazabicyclo(3.2.1)octane-8-ethanol, 3-(3-(2-trifluoromethylphenothiazin-10-yl)propyl)-, dihydrochloride
The XLogP value of 5.6827 indicates that 3,8-Diazabicyclo(3.2.1)octane-8-ethanol, 3-(3-(2-trifluoromethylphenothiazin-10-yl)propyl)-, dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.3 Ų, 3,8-Diazabicyclo(3.2.1)octane-8-ethanol, 3-(3-(2-trifluoromethylphenothiazin-10-yl)propyl)-, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,8-Diazabicyclo(3.2.1)octane-8-ethanol, 3-(3-(2-trifluoromethylphenothiazin-10-yl)propyl)-, dihydrochloride has 3 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 3,8-Diazabicyclo(3.2.1)octane-8-ethanol, 3-(3-(2-trifluoromethylphenothiazin-10-yl)propyl)-, dihydrochloride?
The CAS number of 3,8-Diazabicyclo(3.2.1)octane-8-ethanol, 3-(3-(2-trifluoromethylphenothiazin-10-yl)propyl)-, dihydrochloride is 27775-17-3.
What is the molecular formula of 3,8-Diazabicyclo(3.2.1)octane-8-ethanol, 3-(3-(2-trifluoromethylphenothiazin-10-yl)propyl)-, dihydrochloride?
The molecular formula of 3,8-Diazabicyclo(3.2.1)octane-8-ethanol, 3-(3-(2-trifluoromethylphenothiazin-10-yl)propyl)-, dihydrochloride is C24H30Cl2F3N3OS.
What is the molecular weight of 3,8-Diazabicyclo(3.2.1)octane-8-ethanol, 3-(3-(2-trifluoromethylphenothiazin-10-yl)propyl)-, dihydrochloride?
The molecular weight of 3,8-Diazabicyclo(3.2.1)octane-8-ethanol, 3-(3-(2-trifluoromethylphenothiazin-10-yl)propyl)-, dihydrochloride is 535.14 g/mol.
Where can I buy 3,8-Diazabicyclo(3.2.1)octane-8-ethanol, 3-(3-(2-trifluoromethylphenothiazin-10-yl)propyl)-, dihydrochloride?
You can request a quote for 3,8-Diazabicyclo(3.2.1)octane-8-ethanol, 3-(3-(2-trifluoromethylphenothiazin-10-yl)propyl)-, dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,8-Diazabicyclo(3.2.1)octane-8-ethanol, 3-(3-(2-trifluoromethylphenothiazin-10-yl)propyl)-, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3,8-Diazabicyclo(3.2.1)octane-8-ethanol, 3-(3-(2-trifluoromethylphenothiazin-10-yl)propyl)-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.