3,3,7,7-Tetramethyl-1,2-oxazepan-5-one
TL;DR: 3,3,7,7-Tetramethyl-1,2-oxazepan-5-one (CAS 42399-89-3) is a chemical compound with molecular formula C9H17NO2 and molecular weight 171.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3,7,7-tetramethyloxazepan-5-one
Also Known As: 3,3,7,7-Tetramethyl-1,2-oxazepan-5-one, 3,3,7,7-tetramethyloxazepan-5-one, 1, tetrahydro-3,3,7,7-tetramethyl-, 1,2-Oxazepin-5(2H)-one, tetrahydro-3,3,7,7-tetramethyl-, TETRAHYDRO-3,3,7,7-TETRAMETHYL-1,2-OXAZEPIN-5(2H)-ONE
| Molecular Formula | C9H17NO2 |
|---|---|
| Molecular Weight | 171.13 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 171.12593 |
| Heavy Atoms | 12 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 42399-89-3 |
|---|---|
| SMILES | CC1(CC(=O)CC(ON1)(C)C)C |
| InChIKey | YUARUBGPNUEQBK-UHFFFAOYSA-N |
Product Overview
3,3,7,7-Tetramethyl-1,2-oxazepan-5-one (CAS 42399-89-3), with molecular formula C9H17NO2 and molecular weight 171.13 g/mol. IUPAC: 3,3,7,7-tetramethyloxazepan-5-one.
Chemical Property Profile of 3,3,7,7-Tetramethyl-1,2-oxazepan-5-one
Property Insights of 3,3,7,7-Tetramethyl-1,2-oxazepan-5-one
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3,7,7-Tetramethyl-1,2-oxazepan-5-one. With a topological polar surface area (TPSA) of 38.3 Ų, 3,3,7,7-Tetramethyl-1,2-oxazepan-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3,7,7-Tetramethyl-1,2-oxazepan-5-one has 1 hydrogen bond donor(s) and 3 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 3,3,7,7-Tetramethyl-1,2-oxazepan-5-one?
The CAS number of 3,3,7,7-Tetramethyl-1,2-oxazepan-5-one is 42399-89-3.
What is the molecular formula of 3,3,7,7-Tetramethyl-1,2-oxazepan-5-one?
The molecular formula of 3,3,7,7-Tetramethyl-1,2-oxazepan-5-one is C9H17NO2.
What is the molecular weight of 3,3,7,7-Tetramethyl-1,2-oxazepan-5-one?
The molecular weight of 3,3,7,7-Tetramethyl-1,2-oxazepan-5-one is 171.13 g/mol.
Where can I buy 3,3,7,7-Tetramethyl-1,2-oxazepan-5-one?
You can request a quote for 3,3,7,7-Tetramethyl-1,2-oxazepan-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3,7,7-Tetramethyl-1,2-oxazepan-5-one?
Yes, KEHONG BIO provides custom synthesis services for 3,3,7,7-Tetramethyl-1,2-oxazepan-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.