Benzamide, N-((5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)methyl)-4-(trifluoromethyl)-, monohydrochloride
TL;DR: Benzamide, N-((5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)methyl)-4-(trifluoromethyl)-, monohydrochloride (CAS 83736-68-9) is a chemical compound with molecular formula C25H22ClF4N3O and molecular weight 491.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]-4-(trifluoromethyl)benzamide;hydrochloride
Also Known As: Benzamide, N-((5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)methyl)-4-(trifluoromethyl)-, monohydrochloride, N-[[5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]-4-(trifluoromethyl)benzamide hydrochloride, N-{[5-(2-Fluorophenyl)-1-methyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl]methyl}-4-(trifluoromethyl)benzamide--hydrogen chloride (1/1), RefChem:322047
| Molecular Formula | C25H22ClF4N3O |
|---|---|
| Molecular Weight | 491.14 g/mol |
| LogP | 5.3521 |
| Topological Polar Surface Area | 44.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 491.13876 |
| Heavy Atoms | 34 |
| Complexity | 1195.2651 |
Chemical Identifiers
| CAS Number | 83736-68-9 |
|---|---|
| SMILES | CN1C(CN=C(C2=CC=CC=C21)C3=CC=CC=C3F)CNC(=O)C4=CC=C(C=C4)C(F)(F)F.Cl |
Product Overview
Benzamide, N-((5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)methyl)-4-(trifluoromethyl)-, monohydrochloride (CAS 83736-68-9), with molecular formula C25H22ClF4N3O and molecular weight 491.14 g/mol. IUPAC: N-[[5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1,4-benzodiazepin-2-yl]methyl]-4-(trifluoromethyl)benzamide;hydrochloride.
Chemical Property Profile of Benzamide, N-((5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)methyl)-4-(trifluoromethyl)-, monohydrochloride
Property Insights of Benzamide, N-((5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)methyl)-4-(trifluoromethyl)-, monohydrochloride
The XLogP value of 5.3521 indicates that Benzamide, N-((5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)methyl)-4-(trifluoromethyl)-, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.7 Ų, Benzamide, N-((5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)methyl)-4-(trifluoromethyl)-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzamide, N-((5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)methyl)-4-(trifluoromethyl)-, monohydrochloride has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzamide, N-((5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)methyl)-4-(trifluoromethyl)-, monohydrochloride?
The CAS number of Benzamide, N-((5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)methyl)-4-(trifluoromethyl)-, monohydrochloride is 83736-68-9.
What is the molecular formula of Benzamide, N-((5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)methyl)-4-(trifluoromethyl)-, monohydrochloride?
The molecular formula of Benzamide, N-((5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)methyl)-4-(trifluoromethyl)-, monohydrochloride is C25H22ClF4N3O.
What is the molecular weight of Benzamide, N-((5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)methyl)-4-(trifluoromethyl)-, monohydrochloride?
The molecular weight of Benzamide, N-((5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)methyl)-4-(trifluoromethyl)-, monohydrochloride is 491.14 g/mol.
Where can I buy Benzamide, N-((5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)methyl)-4-(trifluoromethyl)-, monohydrochloride?
You can request a quote for Benzamide, N-((5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)methyl)-4-(trifluoromethyl)-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzamide, N-((5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)methyl)-4-(trifluoromethyl)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzamide, N-((5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1H-1,4-benzodiazepin-2-yl)methyl)-4-(trifluoromethyl)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.