4-methyl-7-phenyl-1,3,6,7-tetrahydro-2H-azepin-2-one
TL;DR: 4-methyl-7-phenyl-1,3,6,7-tetrahydro-2H-azepin-2-one (CAS 39919-74-9) is a chemical compound with molecular formula C13H15NO and molecular weight 201.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-phenyl-1,2,3,6-tetrahydroazepin-7-one
Also Known As: 4-methyl-7-phenyl-1,3,6,7-tetrahydro-2H-azepin-2-one, 5-methyl-2-phenyl-1,2,3,6-tetrahydroazepin-7-one, 4-methyl-7-phenyl-1,3,6,7-tetrahydro-azepin-2-one
| Molecular Formula | C13H15NO |
|---|---|
| Molecular Weight | 201.12 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 201.11537 |
| Heavy Atoms | 15 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 39919-74-9 |
|---|---|
| SMILES | CC1=CCC(NC(=O)C1)C2=CC=CC=C2 |
| InChIKey | GWRPBGLHPXSHNE-UHFFFAOYSA-N |
Product Overview
4-methyl-7-phenyl-1,3,6,7-tetrahydro-2H-azepin-2-one (CAS 39919-74-9), with molecular formula C13H15NO and molecular weight 201.12 g/mol. IUPAC: 5-methyl-2-phenyl-1,2,3,6-tetrahydroazepin-7-one.
Chemical Property Profile of 4-methyl-7-phenyl-1,3,6,7-tetrahydro-2H-azepin-2-one
Property Insights of 4-methyl-7-phenyl-1,3,6,7-tetrahydro-2H-azepin-2-one
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methyl-7-phenyl-1,3,6,7-tetrahydro-2H-azepin-2-one. With a topological polar surface area (TPSA) of 29.1 Ų, 4-methyl-7-phenyl-1,3,6,7-tetrahydro-2H-azepin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-methyl-7-phenyl-1,3,6,7-tetrahydro-2H-azepin-2-one has 1 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 4-methyl-7-phenyl-1,3,6,7-tetrahydro-2H-azepin-2-one?
The CAS number of 4-methyl-7-phenyl-1,3,6,7-tetrahydro-2H-azepin-2-one is 39919-74-9.
What is the molecular formula of 4-methyl-7-phenyl-1,3,6,7-tetrahydro-2H-azepin-2-one?
The molecular formula of 4-methyl-7-phenyl-1,3,6,7-tetrahydro-2H-azepin-2-one is C13H15NO.
What is the molecular weight of 4-methyl-7-phenyl-1,3,6,7-tetrahydro-2H-azepin-2-one?
The molecular weight of 4-methyl-7-phenyl-1,3,6,7-tetrahydro-2H-azepin-2-one is 201.12 g/mol.
Where can I buy 4-methyl-7-phenyl-1,3,6,7-tetrahydro-2H-azepin-2-one?
You can request a quote for 4-methyl-7-phenyl-1,3,6,7-tetrahydro-2H-azepin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methyl-7-phenyl-1,3,6,7-tetrahydro-2H-azepin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-7-phenyl-1,3,6,7-tetrahydro-2H-azepin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.