(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one
TL;DR: (4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one (CAS 58869-89-9) 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,8aS)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one
Also Known As: Octahydro-quinolin-4-one, octahydro-4(1h)-quinolinone, ZERO/001739, (-)trans-(9s,10s)-4-ketoperhydroquinoline, (4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one
| Molecular Formula | C9H15NO |
|---|---|
| Molecular Weight | 153.12 g/mol |
| LogP | 0.7 |
| 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 | 167.0 |
Chemical Identifiers
| CAS Number | 58869-89-9 |
|---|---|
| SMILES | C1CC[C@H]2[C@H](C1)C(=O)CCN2 |
| InChIKey | VZTBFFGJFFYFRT-YUMQZZPRSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one (CAS 58869-89-9), with molecular formula C9H15NO and molecular weight 153.12 g/mol. IUPAC: (4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one.
Chemical Property Profile of (4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one
Property Insights of (4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one. With a topological polar surface area (TPSA) of 29.1 Ų, (4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-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 (4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one?
The CAS number of (4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one is 58869-89-9.
What is the molecular formula of (4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one?
The molecular formula of (4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one is C9H15NO.
What is the molecular weight of (4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one?
The molecular weight of (4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one is 153.12 g/mol.
Where can I buy (4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one?
You can request a quote for (4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for (4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.