5-(tert-butyl)hexahydro-2H-azepin-2-one
TL;DR: 5-(tert-butyl)hexahydro-2H-azepin-2-one (CAS 32741-89-2) is a chemical compound with molecular formula C10H19NO and molecular weight 169.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-tert-butylazepan-2-one
Also Known As: 5-tert-butylazepan-2-one, 5-(tert-Butyl)azepan-2-one, 4-tert-butylcaprolactam, 4-tertbutylcaprolactam, 5-tert-Butyl-2-azepanone
| Molecular Formula | C10H19NO |
|---|---|
| Molecular Weight | 169.15 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 169.14667 |
| Heavy Atoms | 12 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 32741-89-2 |
|---|---|
| SMILES | CC(C)(C)C1CCC(=O)NCC1 |
| InChIKey | UUFLMKKCFXJHER-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(tert-butyl)hexahydro-2H-azepin-2-one (CAS 32741-89-2), with molecular formula C10H19NO and molecular weight 169.15 g/mol. IUPAC: 5-tert-butylazepan-2-one.
Chemical Property Profile of 5-(tert-butyl)hexahydro-2H-azepin-2-one
Property Insights of 5-(tert-butyl)hexahydro-2H-azepin-2-one
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(tert-butyl)hexahydro-2H-azepin-2-one. With a topological polar surface area (TPSA) of 29.1 Ų, 5-(tert-butyl)hexahydro-2H-azepin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(tert-butyl)hexahydro-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 5-(tert-butyl)hexahydro-2H-azepin-2-one?
The CAS number of 5-(tert-butyl)hexahydro-2H-azepin-2-one is 32741-89-2.
What is the molecular formula of 5-(tert-butyl)hexahydro-2H-azepin-2-one?
The molecular formula of 5-(tert-butyl)hexahydro-2H-azepin-2-one is C10H19NO.
What is the molecular weight of 5-(tert-butyl)hexahydro-2H-azepin-2-one?
The molecular weight of 5-(tert-butyl)hexahydro-2H-azepin-2-one is 169.15 g/mol.
Where can I buy 5-(tert-butyl)hexahydro-2H-azepin-2-one?
You can request a quote for 5-(tert-butyl)hexahydro-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 5-(tert-butyl)hexahydro-2H-azepin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(tert-butyl)hexahydro-2H-azepin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.