1-ethyl-3-methyl-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one
TL;DR: 1-ethyl-3-methyl-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one (CAS 74938-34-4) is a chemical compound with molecular formula C13H17NO and molecular weight 203.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-3-methyl-2,5-dihydro-1H-3-benzazepin-4-one
Also Known As: J2.494.045D, AQ-741/41718158, 1-ethyl-3-methyl-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one, 5-ethyl-3-methyl-2,5-dihydro-1H-3-benzazepin-4-one, 2H-3-Benzazepin-2-one, 1-ethyl-1,3,4,5-tetrahydro-3-methyl-
| Molecular Formula | C13H17NO |
|---|---|
| Molecular Weight | 203.13 g/mol |
| LogP | 2.1947 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 203.13101 |
| Heavy Atoms | 15 |
| Complexity | 372.55362 |
Chemical Identifiers
| CAS Number | 74938-34-4 |
|---|---|
| SMILES | CCC1C2=CC=CC=C2CCN(C1=O)C |
Product Overview
1-ethyl-3-methyl-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one (CAS 74938-34-4), with molecular formula C13H17NO and molecular weight 203.13 g/mol. IUPAC: 5-ethyl-3-methyl-2,5-dihydro-1H-3-benzazepin-4-one.
Chemical Property Profile of 1-ethyl-3-methyl-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one
Property Insights of 1-ethyl-3-methyl-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one
The XLogP value of 2.1947 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-ethyl-3-methyl-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one. With a topological polar surface area (TPSA) of 20.31 Ų, 1-ethyl-3-methyl-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-ethyl-3-methyl-1,3,4,5-tetrahydro-2H-3-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-ethyl-3-methyl-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one?
The CAS number of 1-ethyl-3-methyl-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one is 74938-34-4.
What is the molecular formula of 1-ethyl-3-methyl-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one?
The molecular formula of 1-ethyl-3-methyl-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one is C13H17NO.
What is the molecular weight of 1-ethyl-3-methyl-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one?
The molecular weight of 1-ethyl-3-methyl-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one is 203.13 g/mol.
Where can I buy 1-ethyl-3-methyl-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one?
You can request a quote for 1-ethyl-3-methyl-1,3,4,5-tetrahydro-2H-3-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-ethyl-3-methyl-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-ethyl-3-methyl-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.