8-Trifluoromethyl-6-(1-methyl-4-piperidyl)-6H-dibenz(b,e)-1,4-oxathiepin hydrogen oxalate
TL;DR: 8-Trifluoromethyl-6-(1-methyl-4-piperidyl)-6H-dibenz(b,e)-1,4-oxathiepin hydrogen oxalate (CAS 83986-20-3) is a chemical compound with molecular formula C22H22F3NO5S and molecular weight 469.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-[8-(trifluoromethyl)-6H-benzo[c][1,5]benzoxathiepin-6-yl]piperidine;oxalic acid
Also Known As: 8-Trifluoromethyl-6-(1-methyl-4-piperidyl)-6H-dibenz(b,e)-1,4-oxathiepin hydrogen oxalate, Piperidine, 1-methyl-4-(2-(trifluoromethyl)-11H-dibenz(b,e)(1,4)oxathiepin-11-yl)-, ethanedioate (1:1), 1-methyl-4-[8-(trifluoromethyl)-6H-benzo[c][1,5]benzoxathiep, 1-methyl-4-[8-(trifluoromethyl)-6H-benzo[c][1,5]benzoxathiepin-6-yl]piperidine, 1-methyl-4-[8-(trifluoromethyl)-6H-benzo[c][1,5]benzoxathiepin-6-yl]piperidine,oxalic acid
| Molecular Formula | C22H22F3NO5S |
|---|---|
| Molecular Weight | 469.12 g/mol |
| LogP | 4.7875 |
| Topological Polar Surface Area | 87.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 469.11707 |
| Heavy Atoms | 32 |
| Complexity | 977.77185 |
Chemical Identifiers
| CAS Number | 83986-20-3 |
|---|---|
| SMILES | CN1CCC(CC1)C2C3=C(C=CC(=C3)C(F)(F)F)SC4=CC=CC=C4O2.C(=O)(C(=O)O)O |
Product Overview
8-Trifluoromethyl-6-(1-methyl-4-piperidyl)-6H-dibenz(b,e)-1,4-oxathiepin hydrogen oxalate (CAS 83986-20-3), with molecular formula C22H22F3NO5S and molecular weight 469.12 g/mol. IUPAC: 1-methyl-4-[8-(trifluoromethyl)-6H-benzo[c][1,5]benzoxathiepin-6-yl]piperidine;oxalic acid.
Chemical Property Profile of 8-Trifluoromethyl-6-(1-methyl-4-piperidyl)-6H-dibenz(b,e)-1,4-oxathiepin hydrogen oxalate
Property Insights of 8-Trifluoromethyl-6-(1-methyl-4-piperidyl)-6H-dibenz(b,e)-1,4-oxathiepin hydrogen oxalate
The XLogP value of 4.7875 indicates that 8-Trifluoromethyl-6-(1-methyl-4-piperidyl)-6H-dibenz(b,e)-1,4-oxathiepin hydrogen oxalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Trifluoromethyl-6-(1-methyl-4-piperidyl)-6H-dibenz(b,e)-1,4-oxathiepin hydrogen oxalate. Following Lipinski's Rule of Five, 8-Trifluoromethyl-6-(1-methyl-4-piperidyl)-6H-dibenz(b,e)-1,4-oxathiepin hydrogen oxalate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8-Trifluoromethyl-6-(1-methyl-4-piperidyl)-6H-dibenz(b,e)-1,4-oxathiepin hydrogen oxalate?
The CAS number of 8-Trifluoromethyl-6-(1-methyl-4-piperidyl)-6H-dibenz(b,e)-1,4-oxathiepin hydrogen oxalate is 83986-20-3.
What is the molecular formula of 8-Trifluoromethyl-6-(1-methyl-4-piperidyl)-6H-dibenz(b,e)-1,4-oxathiepin hydrogen oxalate?
The molecular formula of 8-Trifluoromethyl-6-(1-methyl-4-piperidyl)-6H-dibenz(b,e)-1,4-oxathiepin hydrogen oxalate is C22H22F3NO5S.
What is the molecular weight of 8-Trifluoromethyl-6-(1-methyl-4-piperidyl)-6H-dibenz(b,e)-1,4-oxathiepin hydrogen oxalate?
The molecular weight of 8-Trifluoromethyl-6-(1-methyl-4-piperidyl)-6H-dibenz(b,e)-1,4-oxathiepin hydrogen oxalate is 469.12 g/mol.
Where can I buy 8-Trifluoromethyl-6-(1-methyl-4-piperidyl)-6H-dibenz(b,e)-1,4-oxathiepin hydrogen oxalate?
You can request a quote for 8-Trifluoromethyl-6-(1-methyl-4-piperidyl)-6H-dibenz(b,e)-1,4-oxathiepin hydrogen oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Trifluoromethyl-6-(1-methyl-4-piperidyl)-6H-dibenz(b,e)-1,4-oxathiepin hydrogen oxalate?
Yes, KEHONG BIO provides custom synthesis services for 8-Trifluoromethyl-6-(1-methyl-4-piperidyl)-6H-dibenz(b,e)-1,4-oxathiepin hydrogen oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.