RefChem:305606
TL;DR: RefChem:305606 (CAS 78110-20-0) is a chemical compound with molecular formula C18H19ClF3N3O and molecular weight 385.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl-[2-[6-oxo-3-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepin-5-yl]ethyl]azanium chloride
Also Known As: 5H-Dibenzo(b,e)(1,4)diazepin-11-one, 10,11-dihydro-10-(2-(dimethylamino)ethyl)-8-trifluoromethyl-, hydrochloride, dimethyl-[2-[6-oxo-3-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepin-5-yl]ethyl]azanium chloride, 5H-DIBENZO(b,e)(1,4)DIAZEPIN-11-ONE, 10,11-DIHYDRO-10-(2-(DIMETHYLAMINO)ETHYL)-8, 11H-Dibenzo[b,e][1,4]diazepin-11-one, 10-[2-(dimethylamino)ethyl]-5,10-dihydro-8-(trifluoromethyl)-, monohydrochloride, RefChem:305606
| Molecular Formula | C18H19ClF3N3O |
|---|---|
| Molecular Weight | 385.12 g/mol |
| LogP | -0.44 |
| Topological Polar Surface Area | 36.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 385.11688 |
| Heavy Atoms | 26 |
| Complexity | 483.0 |
Chemical Identifiers
| CAS Number | 78110-20-0 |
|---|---|
| SMILES | C[NH+](C)CCN1C2=C(C=CC(=C2)C(F)(F)F)NC3=CC=CC=C3C1=O.[Cl-] |
| InChIKey | WQCCTIOYIIMUFS-UHFFFAOYSA-N |
Product Overview
RefChem:305606 (CAS 78110-20-0), with molecular formula C18H19ClF3N3O and molecular weight 385.12 g/mol. IUPAC: dimethyl-[2-[6-oxo-3-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepin-5-yl]ethyl]azanium chloride.
Chemical Property Profile of RefChem:305606
Property Insights of RefChem:305606
The XLogP value of -0.44 indicates that RefChem:305606 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 36.8 Ų, RefChem:305606 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:305606 has 2 hydrogen bond donor(s) and 6 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 RefChem:305606?
The CAS number of RefChem:305606 is 78110-20-0.
What is the molecular formula of RefChem:305606?
The molecular formula of RefChem:305606 is C18H19ClF3N3O.
What is the molecular weight of RefChem:305606?
The molecular weight of RefChem:305606 is 385.12 g/mol.
Where can I buy RefChem:305606?
You can request a quote for RefChem:305606 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:305606?
Yes, KEHONG BIO provides custom synthesis services for RefChem:305606 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.