5-(4-methoxybenzoyl)-8-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
TL;DR: 5-(4-methoxybenzoyl)-8-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one (CAS 866138-26-3) is a chemical compound with molecular formula C18H15F3N2O3 and molecular weight 364.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methoxybenzoyl)-7-(trifluoromethyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one
Also Known As: 5-(4-methoxybenzoyl)-8-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, 1-(4-methoxybenzoyl)-7-(trifluoromethyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one, 8W-0841, 5-(4-methoxybenzoyl)-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one, 5-(4-methoxybenzoyl)-8-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one
| Molecular Formula | C18H15F3N2O3 |
|---|---|
| Molecular Weight | 364.10 g/mol |
| LogP | 3.703 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 364.1035 |
| Heavy Atoms | 26 |
| Complexity | 847.75006 |
Chemical Identifiers
| CAS Number | 866138-26-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)N2CCC(=O)NC3=C2C=CC(=C3)C(F)(F)F |
Product Overview
5-(4-methoxybenzoyl)-8-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one (CAS 866138-26-3), with molecular formula C18H15F3N2O3 and molecular weight 364.10 g/mol. IUPAC: 1-(4-methoxybenzoyl)-7-(trifluoromethyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one.
Chemical Property Profile of 5-(4-methoxybenzoyl)-8-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
Property Insights of 5-(4-methoxybenzoyl)-8-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
The XLogP value of 3.703 indicates that 5-(4-methoxybenzoyl)-8-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, 5-(4-methoxybenzoyl)-8-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-methoxybenzoyl)-8-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one has 1 hydrogen bond donor(s) and 3 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-(4-methoxybenzoyl)-8-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one?
The CAS number of 5-(4-methoxybenzoyl)-8-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one is 866138-26-3.
What is the molecular formula of 5-(4-methoxybenzoyl)-8-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one?
The molecular formula of 5-(4-methoxybenzoyl)-8-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one is C18H15F3N2O3.
What is the molecular weight of 5-(4-methoxybenzoyl)-8-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one?
The molecular weight of 5-(4-methoxybenzoyl)-8-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one is 364.10 g/mol.
Where can I buy 5-(4-methoxybenzoyl)-8-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one?
You can request a quote for 5-(4-methoxybenzoyl)-8-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-methoxybenzoyl)-8-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-methoxybenzoyl)-8-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.