1-Benzyl-4a-ethyloctahydroquinolin-7(1h)-one
TL;DR: 1-Benzyl-4a-ethyloctahydroquinolin-7(1h)-one (CAS 23922-04-5) is a chemical compound with molecular formula C18H25NO and molecular weight 271.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-4a-ethyl-3,4,5,6,8,8a-hexahydro-2H-quinolin-7-one
Also Known As: 1-benzyl-4a-ethyloctahydroquinolin-7(1h)-one, 1-benzyl-4a-ethyl-3,4,5,6,8,8a-hexahydro-2H-quinolin-7-one
| Molecular Formula | C18H25NO |
|---|---|
| Molecular Weight | 271.19 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 271.1936 |
| Heavy Atoms | 20 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 23922-04-5 |
|---|---|
| SMILES | CCC12CCCN(C1CC(=O)CC2)CC3=CC=CC=C3 |
| InChIKey | UODNXCFZLOGPMI-UHFFFAOYSA-N |
Product Overview
1-Benzyl-4a-ethyloctahydroquinolin-7(1h)-one (CAS 23922-04-5), with molecular formula C18H25NO and molecular weight 271.19 g/mol. IUPAC: 1-benzyl-4a-ethyl-3,4,5,6,8,8a-hexahydro-2H-quinolin-7-one.
Chemical Property Profile of 1-Benzyl-4a-ethyloctahydroquinolin-7(1h)-one
Property Insights of 1-Benzyl-4a-ethyloctahydroquinolin-7(1h)-one
The XLogP value of 3.1 indicates that 1-Benzyl-4a-ethyloctahydroquinolin-7(1h)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, 1-Benzyl-4a-ethyloctahydroquinolin-7(1h)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-4a-ethyloctahydroquinolin-7(1h)-one 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 1-Benzyl-4a-ethyloctahydroquinolin-7(1h)-one?
The CAS number of 1-Benzyl-4a-ethyloctahydroquinolin-7(1h)-one is 23922-04-5.
What is the molecular formula of 1-Benzyl-4a-ethyloctahydroquinolin-7(1h)-one?
The molecular formula of 1-Benzyl-4a-ethyloctahydroquinolin-7(1h)-one is C18H25NO.
What is the molecular weight of 1-Benzyl-4a-ethyloctahydroquinolin-7(1h)-one?
The molecular weight of 1-Benzyl-4a-ethyloctahydroquinolin-7(1h)-one is 271.19 g/mol.
Where can I buy 1-Benzyl-4a-ethyloctahydroquinolin-7(1h)-one?
You can request a quote for 1-Benzyl-4a-ethyloctahydroquinolin-7(1h)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-4a-ethyloctahydroquinolin-7(1h)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-4a-ethyloctahydroquinolin-7(1h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.