RefChem:272735
TL;DR: RefChem:272735 (CAS 5798-13-0) 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-[8-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanol;dihydrochloride
Also Known As: 3,8-Diazabicyclo(3.2.1)octane-3-ethanol, 8-(3-(2-trifluoromethylphenothiazin-10-yl)propyl)-, dihydrochloride, 2-(8-{3-[2-(Trifluoromethyl)-10H-phenothiazin-10-yl]propyl}-3,8-diazabicyclo[3.2.1]octan-3-yl)ethan-1-ol--hydrogen chloride (1/2), 2-[8-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanol dihydrochloride, 3,8-Diazabicyclo[3.2.1]octane-3-ethanol, 8-[3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl]-, dihydrochloride, 3,8-Diazabicyclo[3.2.1]octane-3-ethanol, 8-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]-, dihydrochloride
| 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 | 5798-13-0 |
|---|---|
| SMILES | C1CC2CN(CC1N2CCCN3C4=CC=CC=C4SC5=C3C=C(C=C5)C(F)(F)F)CCO.Cl.Cl |
| InChIKey | FOXMORGBKWCORU-UHFFFAOYSA-N |
Product Overview
RefChem:272735 (CAS 5798-13-0), with molecular formula C24H30Cl2F3N3OS and molecular weight 535.14 g/mol. IUPAC: 2-[8-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanol;dihydrochloride.
Chemical Property Profile of RefChem:272735
Property Insights of RefChem:272735
The XLogP value of 5.6827 indicates that RefChem:272735 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.3 Ų, RefChem:272735 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:272735 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 RefChem:272735?
The CAS number of RefChem:272735 is 5798-13-0.
What is the molecular formula of RefChem:272735?
The molecular formula of RefChem:272735 is C24H30Cl2F3N3OS.
What is the molecular weight of RefChem:272735?
The molecular weight of RefChem:272735 is 535.14 g/mol.
Where can I buy RefChem:272735?
You can request a quote for RefChem:272735 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:272735?
Yes, KEHONG BIO provides custom synthesis services for RefChem:272735 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.