RefChem:305605
TL;DR: RefChem:305605 (CAS 1168-11-2) is a chemical compound with molecular formula C18H18F3N3O and molecular weight 349.1402 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[2-(dimethylamino)ethyl]-3-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepin-6-one
Also Known As: 5-24-04-00139 (Beilstein Handbook Reference), 5H-Dibenzo(b,e)(1,4)diazepin-11-one, 10,11-dihydro-10-(2-(dimethylamino)ethyl)-8-trifluoromethyl-, 5-(2-dimethylaminoethyl)-3-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepin-6-one, 10,11-Dihydro-10-[2-(dimethylamino)ethyl]-8-trifluoromethyl-5H-dibenzo[b,e][1,4]diazepin-11-one, 10-[2-(dimethylamino)ethyl]-8-(trifluoromethyl)-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one
Technical Specifications
| Molecular Formula | C18H18F3N3O |
| Molecular Weight | 349.1402 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 35.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 349.1402 Da |
| Heavy Atoms | 25 |
| Complexity | 483.0 |
| SMILES | CN(C)CCN1C2=C(C=CC(=C2)C(F)(F)F)NC3=CC=CC=C3C1=O |
| InChIKey | NUMLEZZJLDPKGR-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:305605
Property Insights of RefChem:305605
The XLogP value of 3.5 indicates that RefChem:305605 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.6 Ų, RefChem:305605 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:305605 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:305605?
The CAS number of RefChem:305605 is 1168-11-2.
What is the molecular formula of RefChem:305605?
The molecular formula of RefChem:305605 is C18H18F3N3O.
What is the molecular weight of RefChem:305605?
The molecular weight of RefChem:305605 is 349.1402 g/mol.
Where can I buy RefChem:305605?
You can request a quote for RefChem:305605 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:305605?
Yes, CoreyChem provides custom synthesis services for RefChem:305605 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.