![5,6,11,12-Tetrahydro-2-trifluoromethyldibenzo[b,f][1,4]diazocine structure](/static/products/271/27188-36-9.png)
5,6,11,12-Tetrahydro-2-trifluoromethyldibenzo[b,f][1,4]diazocine
TL;DR: 5,6,11,12-Tetrahydro-2-trifluoromethyldibenzo[b,f][1,4]diazocine (CAS 27188-36-9) is a chemical compound with molecular formula C15H13F3N2 and molecular weight 278.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(trifluoromethyl)-5,6,11,12-tetrahydrobenzo[c][1,6]benzodiazocine
Also Known As: 5,6,11,12-Tetrahydro-2- dibenzo[b,f][1,4]diazocine, 5,6,11,12-Tetrahydro-2-trifluoromethyldibenzo[b,f][1,4]diazocine, Dibenzo[b,f][1,4]diazocine, 5,6,11,12-tetrahydro-2-(trifluoromethyl)-, 2-(Trifluoromethyl)-5,6,11,12-tetrahydrodibenzo[b,f][1,4]diazocine #, 3-(trifluoromethyl)-5,6,11,12-tetrahydrobenzo[c][1,6]benzodiazocine
| Molecular Formula | C15H13F3N2 |
|---|---|
| Molecular Weight | 278.10 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 24.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 278.1031 |
| Heavy Atoms | 20 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 27188-36-9 |
|---|---|
| SMILES | C1C2=CC=CC=C2CNC3=C(N1)C=CC(=C3)C(F)(F)F |
| InChIKey | RGTQTDAKBMJTFH-UHFFFAOYSA-N |
Product Overview
5,6,11,12-Tetrahydro-2-trifluoromethyldibenzo[b,f][1,4]diazocine (CAS 27188-36-9), with molecular formula C15H13F3N2 and molecular weight 278.10 g/mol. IUPAC: 3-(trifluoromethyl)-5,6,11,12-tetrahydrobenzo[c][1,6]benzodiazocine.
Chemical Property Profile of 5,6,11,12-Tetrahydro-2-trifluoromethyldibenzo[b,f][1,4]diazocine
Property Insights of 5,6,11,12-Tetrahydro-2-trifluoromethyldibenzo[b,f][1,4]diazocine
The XLogP value of 3.8 indicates that 5,6,11,12-Tetrahydro-2-trifluoromethyldibenzo[b,f][1,4]diazocine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.1 Ų, 5,6,11,12-Tetrahydro-2-trifluoromethyldibenzo[b,f][1,4]diazocine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6,11,12-Tetrahydro-2-trifluoromethyldibenzo[b,f][1,4]diazocine 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 5,6,11,12-Tetrahydro-2-trifluoromethyldibenzo[b,f][1,4]diazocine?
The CAS number of 5,6,11,12-Tetrahydro-2-trifluoromethyldibenzo[b,f][1,4]diazocine is 27188-36-9.
What is the molecular formula of 5,6,11,12-Tetrahydro-2-trifluoromethyldibenzo[b,f][1,4]diazocine?
The molecular formula of 5,6,11,12-Tetrahydro-2-trifluoromethyldibenzo[b,f][1,4]diazocine is C15H13F3N2.
What is the molecular weight of 5,6,11,12-Tetrahydro-2-trifluoromethyldibenzo[b,f][1,4]diazocine?
The molecular weight of 5,6,11,12-Tetrahydro-2-trifluoromethyldibenzo[b,f][1,4]diazocine is 278.10 g/mol.
Where can I buy 5,6,11,12-Tetrahydro-2-trifluoromethyldibenzo[b,f][1,4]diazocine?
You can request a quote for 5,6,11,12-Tetrahydro-2-trifluoromethyldibenzo[b,f][1,4]diazocine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6,11,12-Tetrahydro-2-trifluoromethyldibenzo[b,f][1,4]diazocine?
Yes, KEHONG BIO provides custom synthesis services for 5,6,11,12-Tetrahydro-2-trifluoromethyldibenzo[b,f][1,4]diazocine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.