1-Benzyloctahydroquinolin-4(1h)-one
TL;DR: 1-Benzyloctahydroquinolin-4(1h)-one (CAS 21897-03-0) is a chemical compound with molecular formula C16H21NO and molecular weight 243.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one
Also Known As: 1-benzyloctahydroquinolin-4(1h)-one, 1-benzyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one
| Molecular Formula | C16H21NO |
|---|---|
| Molecular Weight | 243.16 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 243.16231 |
| Heavy Atoms | 18 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 21897-03-0 |
|---|---|
| SMILES | C1CCC2C(C1)C(=O)CCN2CC3=CC=CC=C3 |
| InChIKey | KEIYOMXQHIMJNM-UHFFFAOYSA-N |
Product Overview
1-Benzyloctahydroquinolin-4(1h)-one (CAS 21897-03-0), with molecular formula C16H21NO and molecular weight 243.16 g/mol. IUPAC: 1-benzyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one.
Chemical Property Profile of 1-Benzyloctahydroquinolin-4(1h)-one
Property Insights of 1-Benzyloctahydroquinolin-4(1h)-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyloctahydroquinolin-4(1h)-one. With a topological polar surface area (TPSA) of 20.3 Ų, 1-Benzyloctahydroquinolin-4(1h)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyloctahydroquinolin-4(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-Benzyloctahydroquinolin-4(1h)-one?
The CAS number of 1-Benzyloctahydroquinolin-4(1h)-one is 21897-03-0.
What is the molecular formula of 1-Benzyloctahydroquinolin-4(1h)-one?
The molecular formula of 1-Benzyloctahydroquinolin-4(1h)-one is C16H21NO.
What is the molecular weight of 1-Benzyloctahydroquinolin-4(1h)-one?
The molecular weight of 1-Benzyloctahydroquinolin-4(1h)-one is 243.16 g/mol.
Where can I buy 1-Benzyloctahydroquinolin-4(1h)-one?
You can request a quote for 1-Benzyloctahydroquinolin-4(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-Benzyloctahydroquinolin-4(1h)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyloctahydroquinolin-4(1h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.