![1-[4-(tert-butyl)benzyl]-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one structure](/static/products/3039/303988-01-4.webp)
1-[4-(tert-butyl)benzyl]-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
TL;DR: 1-[4-(tert-butyl)benzyl]-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one (CAS 303988-01-4) is a chemical compound with molecular formula C21H25NO and molecular weight 307.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-tert-butylphenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one
Also Known As: 11N-583S, 1-[4-(tert-butyl)benzyl]-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one, 1-[(4-tert-butylphenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one, 1-[(4-tert-butylphenyl)methyl]-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one
| Molecular Formula | C21H25NO |
|---|---|
| Molecular Weight | 307.19 g/mol |
| LogP | 4.8536 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 307.1936 |
| Heavy Atoms | 23 |
| Complexity | 694.5267 |
Chemical Identifiers
| CAS Number | 303988-01-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)CN2C(=O)CCCC3=CC=CC=C32 |
Product Overview
1-[4-(tert-butyl)benzyl]-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one (CAS 303988-01-4), with molecular formula C21H25NO and molecular weight 307.19 g/mol. IUPAC: 1-[(4-tert-butylphenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one.
Chemical Property Profile of 1-[4-(tert-butyl)benzyl]-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
Property Insights of 1-[4-(tert-butyl)benzyl]-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
The XLogP value of 4.8536 indicates that 1-[4-(tert-butyl)benzyl]-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, 1-[4-(tert-butyl)benzyl]-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[4-(tert-butyl)benzyl]-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one has 0 hydrogen bond donor(s) and 1 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 1-[4-(tert-butyl)benzyl]-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one?
The CAS number of 1-[4-(tert-butyl)benzyl]-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one is 303988-01-4.
What is the molecular formula of 1-[4-(tert-butyl)benzyl]-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one?
The molecular formula of 1-[4-(tert-butyl)benzyl]-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one is C21H25NO.
What is the molecular weight of 1-[4-(tert-butyl)benzyl]-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one?
The molecular weight of 1-[4-(tert-butyl)benzyl]-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one is 307.19 g/mol.
Where can I buy 1-[4-(tert-butyl)benzyl]-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one?
You can request a quote for 1-[4-(tert-butyl)benzyl]-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[4-(tert-butyl)benzyl]-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-(tert-butyl)benzyl]-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.