2H-Azepin-2-one, 3-allylhexahydro-
TL;DR: 2H-Azepin-2-one, 3-allylhexahydro- (CAS 29559-34-0) is a chemical compound with molecular formula C9H15NO and molecular weight 153.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-prop-2-enylazepan-2-one
Also Known As: allylcaprolactam, 3-Allyl-2-azepanone #, 3-prop-2-enylazepan-2-one, 2H-Azepin-2-one, 3-allylhexahydro-, 3-(prop-2-en-1-yl)azepan-2-one
| Molecular Formula | C9H15NO |
|---|---|
| Molecular Weight | 153.12 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 153.11537 |
| Heavy Atoms | 11 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 29559-34-0 |
|---|---|
| SMILES | C=CCC1CCCCNC1=O |
| InChIKey | MZSNVCNQHZGYOY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2H-Azepin-2-one, 3-allylhexahydro- (CAS 29559-34-0), with molecular formula C9H15NO and molecular weight 153.12 g/mol. IUPAC: 3-prop-2-enylazepan-2-one.
Chemical Property Profile of 2H-Azepin-2-one, 3-allylhexahydro-
Property Insights of 2H-Azepin-2-one, 3-allylhexahydro-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-Azepin-2-one, 3-allylhexahydro-. With a topological polar surface area (TPSA) of 29.1 Ų, 2H-Azepin-2-one, 3-allylhexahydro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-Azepin-2-one, 3-allylhexahydro- 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 2H-Azepin-2-one, 3-allylhexahydro-?
The CAS number of 2H-Azepin-2-one, 3-allylhexahydro- is 29559-34-0.
What is the molecular formula of 2H-Azepin-2-one, 3-allylhexahydro-?
The molecular formula of 2H-Azepin-2-one, 3-allylhexahydro- is C9H15NO.
What is the molecular weight of 2H-Azepin-2-one, 3-allylhexahydro-?
The molecular weight of 2H-Azepin-2-one, 3-allylhexahydro- is 153.12 g/mol.
Where can I buy 2H-Azepin-2-one, 3-allylhexahydro-?
You can request a quote for 2H-Azepin-2-one, 3-allylhexahydro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-Azepin-2-one, 3-allylhexahydro-?
Yes, KEHONG BIO provides custom synthesis services for 2H-Azepin-2-one, 3-allylhexahydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.