Hexahydroazocine-5-one, 1-ethyl-
TL;DR: Hexahydroazocine-5-one, 1-ethyl- (CAS 37727-90-5) is a chemical compound with molecular formula C9H17NO and molecular weight 155.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethylazocan-5-one
Also Known As: 1-ethylazocan-5-one, Hexahydroazocine-5-one, 1-ethyl-, 1-Ethyl-azocan-5-one, N-ethyl-1-azacyclooctanone-5,1-ethylhexahydro-5(2H)-azacinone
| Molecular Formula | C9H17NO |
|---|---|
| Molecular Weight | 155.13 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 155.13101 |
| Heavy Atoms | 11 |
| Complexity | 122.0 |
Chemical Identifiers
| CAS Number | 37727-90-5 |
|---|---|
| SMILES | CCN1CCCC(=O)CCC1 |
| InChIKey | BJYGRXJOOASJTR-UHFFFAOYSA-N |
Product Overview
Hexahydroazocine-5-one, 1-ethyl- (CAS 37727-90-5), with molecular formula C9H17NO and molecular weight 155.13 g/mol. IUPAC: 1-ethylazocan-5-one.
Chemical Property Profile of Hexahydroazocine-5-one, 1-ethyl-
Property Insights of Hexahydroazocine-5-one, 1-ethyl-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexahydroazocine-5-one, 1-ethyl-. With a topological polar surface area (TPSA) of 20.3 Ų, Hexahydroazocine-5-one, 1-ethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexahydroazocine-5-one, 1-ethyl- has 0 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 Hexahydroazocine-5-one, 1-ethyl-?
The CAS number of Hexahydroazocine-5-one, 1-ethyl- is 37727-90-5.
What is the molecular formula of Hexahydroazocine-5-one, 1-ethyl-?
The molecular formula of Hexahydroazocine-5-one, 1-ethyl- is C9H17NO.
What is the molecular weight of Hexahydroazocine-5-one, 1-ethyl-?
The molecular weight of Hexahydroazocine-5-one, 1-ethyl- is 155.13 g/mol.
Where can I buy Hexahydroazocine-5-one, 1-ethyl-?
You can request a quote for Hexahydroazocine-5-one, 1-ethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexahydroazocine-5-one, 1-ethyl-?
Yes, KEHONG BIO provides custom synthesis services for Hexahydroazocine-5-one, 1-ethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.