RefChem:267860
TL;DR: RefChem:267860 (CAS 1959-19-9) is a chemical compound with molecular formula C20H22Cl2F3N3O and molecular weight 447.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl-[2-[2-oxo-5-phenyl-7-(trifluoromethyl)-3H-1,4-benzodiazepin-4-ium-1-yl]ethyl]azanium dichloride
Also Known As: 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-1-(2-(dimethylamino)ethyl)-5-phenyl-7-(trifluoromethyl)-, dihydrochloride, 2H-1,4-BENZODIAZEPIN-2-ONE, 1,3-DIHYDRO-1-(2-(DIMETHYLAMINO)ETHYL)-5-PHENYL-7-(T, dimethyl-[2-[2-oxo-5-phenyl-7-(trifluoromethyl)-3,4-dihydro-1,4-benzodiazepin-1-ium-1-yl]ethyl]azanium dichloride, RefChem:267860
| Molecular Formula | C20H22Cl2F3N3O |
|---|---|
| Molecular Weight | 447.11 g/mol |
| LogP | -5.88 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 447.1092 |
| Heavy Atoms | 29 |
| Complexity | 555.0 |
Chemical Identifiers
| CAS Number | 1959-19-9 |
|---|---|
| SMILES | C[NH+](C)CCN1C(=O)C[NH+]=C(C2=C1C=CC(=C2)C(F)(F)F)C3=CC=CC=C3.[Cl-].[Cl-] |
| InChIKey | PSUPORXCGKAVFW-UHFFFAOYSA-N |
Product Overview
RefChem:267860 (CAS 1959-19-9), with molecular formula C20H22Cl2F3N3O and molecular weight 447.11 g/mol. IUPAC: dimethyl-[2-[2-oxo-5-phenyl-7-(trifluoromethyl)-3H-1,4-benzodiazepin-4-ium-1-yl]ethyl]azanium dichloride.
Chemical Property Profile of RefChem:267860
Property Insights of RefChem:267860
The XLogP value of -5.88 indicates that RefChem:267860 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 38.7 Ų, RefChem:267860 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:267860 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:267860?
The CAS number of RefChem:267860 is 1959-19-9.
What is the molecular formula of RefChem:267860?
The molecular formula of RefChem:267860 is C20H22Cl2F3N3O.
What is the molecular weight of RefChem:267860?
The molecular weight of RefChem:267860 is 447.11 g/mol.
Where can I buy RefChem:267860?
You can request a quote for RefChem:267860 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:267860?
Yes, KEHONG BIO provides custom synthesis services for RefChem:267860 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.