5-Acetyl-1-benzyl-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
TL;DR: 5-Acetyl-1-benzyl-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one (CAS 105931-87-1) is a chemical compound with molecular formula C19H20N2O2 and molecular weight 308.15247 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-acetyl-1-benzyl-4-methyl-3,4-dihydro-1,5-benzodiazepin-2-one
Also Known As: 5-acetyl-1-benzyl-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, 1,3,4,5-Tetrahydro-5-acetyl-4-methyl-1-(phenylmethyl)-2H-1,5-benzodiazepin-2-one, 5-acetyl-1-benzyl-4-methyl-3,4-dihydro-1,5-benzodiazepin-2-one, 2H-1,5-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-5-acetyl-4-methyl-1-(phenylmethyl)-, BRN 4525473
Technical Specifications
| Molecular Formula | C19H20N2O2 |
| Molecular Weight | 308.15247 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 40.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 308.15247 Da |
| Heavy Atoms | 23 |
| Complexity | 445.0 |
| SMILES | CC1CC(=O)N(C2=CC=CC=C2N1C(=O)C)CC3=CC=CC=C3 |
| InChIKey | KGQYMZVRKCXZFR-UHFFFAOYSA-N |
Chemical Property Profile of 5-Acetyl-1-benzyl-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
Property Insights of 5-Acetyl-1-benzyl-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Acetyl-1-benzyl-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one. With a topological polar surface area (TPSA) of 40.6 Ų, 5-Acetyl-1-benzyl-4-methyl-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-Acetyl-1-benzyl-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-Acetyl-1-benzyl-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one?
The CAS number of 5-Acetyl-1-benzyl-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one is 105931-87-1.
What is the molecular formula of 5-Acetyl-1-benzyl-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one?
The molecular formula of 5-Acetyl-1-benzyl-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one is C19H20N2O2.
What is the molecular weight of 5-Acetyl-1-benzyl-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one?
The molecular weight of 5-Acetyl-1-benzyl-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one is 308.15247 g/mol.
Where can I buy 5-Acetyl-1-benzyl-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one?
You can request a quote for 5-Acetyl-1-benzyl-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Acetyl-1-benzyl-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one?
Yes, CoreyChem provides custom synthesis services for 5-Acetyl-1-benzyl-4-methyl-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.