2,2,7,7-Tetramethyl-1,4-diazepan-5-one
TL;DR: 2,2,7,7-Tetramethyl-1,4-diazepan-5-one (CAS 34392-00-2) is a chemical compound with molecular formula C9H18N2O and molecular weight 170.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,7,7-tetramethyl-1,4-diazepan-5-one
Also Known As: 2,2,7,7-Tetramethyl-1,4-diazepan-5-one, 2,2,7,7-tetramethyl-5-homopiperazinone, Cycloheptanone, 2,5-diaza-4,4,6,6-tetramethyl-, 2,2,7,7-Tetramethyl-1,4-diazepan-5-one #, 2,2,7,7-tetramethyl-1,4-diazacycloheptan-5-one
| Molecular Formula | C9H18N2O |
|---|---|
| Molecular Weight | 170.14 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 170.1419 |
| Heavy Atoms | 12 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 34392-00-2 |
|---|---|
| SMILES | CC1(CC(=O)NCC(N1)(C)C)C |
| InChIKey | PKVUCJZQNJSHIH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2,7,7-Tetramethyl-1,4-diazepan-5-one (CAS 34392-00-2), with molecular formula C9H18N2O and molecular weight 170.14 g/mol. IUPAC: 2,2,7,7-tetramethyl-1,4-diazepan-5-one.
Chemical Property Profile of 2,2,7,7-Tetramethyl-1,4-diazepan-5-one
Property Insights of 2,2,7,7-Tetramethyl-1,4-diazepan-5-one
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,7,7-Tetramethyl-1,4-diazepan-5-one. With a topological polar surface area (TPSA) of 41.1 Ų, 2,2,7,7-Tetramethyl-1,4-diazepan-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,7,7-Tetramethyl-1,4-diazepan-5-one has 2 hydrogen bond donor(s) and 2 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 2,2,7,7-Tetramethyl-1,4-diazepan-5-one?
The CAS number of 2,2,7,7-Tetramethyl-1,4-diazepan-5-one is 34392-00-2.
What is the molecular formula of 2,2,7,7-Tetramethyl-1,4-diazepan-5-one?
The molecular formula of 2,2,7,7-Tetramethyl-1,4-diazepan-5-one is C9H18N2O.
What is the molecular weight of 2,2,7,7-Tetramethyl-1,4-diazepan-5-one?
The molecular weight of 2,2,7,7-Tetramethyl-1,4-diazepan-5-one is 170.14 g/mol.
Where can I buy 2,2,7,7-Tetramethyl-1,4-diazepan-5-one?
You can request a quote for 2,2,7,7-Tetramethyl-1,4-diazepan-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,7,7-Tetramethyl-1,4-diazepan-5-one?
Yes, KEHONG BIO provides custom synthesis services for 2,2,7,7-Tetramethyl-1,4-diazepan-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.