Rel-(4aS,8aR)-octahydroquinolin-4(1H)-one
TL;DR: Rel-(4aS,8aR)-octahydroquinolin-4(1H)-one (CAS 54933-74-3) 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.
(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one
Also Known As: cis-Octahydroquinolin-4(1H)-one, ZERO/001739, Rel-(4aS,8aR)-octahydroquinolin-4(1H)-one, (4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one
| Molecular Formula | C9H15NO |
|---|---|
| Molecular Weight | 153.12 g/mol |
| LogP | 1.1076 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 153.11537 |
| Heavy Atoms | 11 |
| Complexity | 164.94566 |
Chemical Identifiers
| CAS Number | 54933-74-3 |
|---|---|
| SMILES | C1CC[C@@H]2[C@H](C1)C(=O)CCN2 |
Product Overview
Rel-(4aS,8aR)-octahydroquinolin-4(1H)-one (CAS 54933-74-3), with molecular formula C9H15NO and molecular weight 153.12 g/mol. IUPAC: (4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one.
Chemical Property Profile of Rel-(4aS,8aR)-octahydroquinolin-4(1H)-one
Property Insights of Rel-(4aS,8aR)-octahydroquinolin-4(1H)-one
The XLogP value of 1.1076 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Rel-(4aS,8aR)-octahydroquinolin-4(1H)-one. With a topological polar surface area (TPSA) of 29.1 Ų, Rel-(4aS,8aR)-octahydroquinolin-4(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Rel-(4aS,8aR)-octahydroquinolin-4(1H)-one has 1 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 Rel-(4aS,8aR)-octahydroquinolin-4(1H)-one?
The CAS number of Rel-(4aS,8aR)-octahydroquinolin-4(1H)-one is 54933-74-3.
What is the molecular formula of Rel-(4aS,8aR)-octahydroquinolin-4(1H)-one?
The molecular formula of Rel-(4aS,8aR)-octahydroquinolin-4(1H)-one is C9H15NO.
What is the molecular weight of Rel-(4aS,8aR)-octahydroquinolin-4(1H)-one?
The molecular weight of Rel-(4aS,8aR)-octahydroquinolin-4(1H)-one is 153.12 g/mol.
Where can I buy Rel-(4aS,8aR)-octahydroquinolin-4(1H)-one?
You can request a quote for Rel-(4aS,8aR)-octahydroquinolin-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 Rel-(4aS,8aR)-octahydroquinolin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for Rel-(4aS,8aR)-octahydroquinolin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.