(2S,4aS,8aS)-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one
TL;DR: (2S,4aS,8aS)-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one (CAS 16041-56-8) is a chemical compound with molecular formula C10H17NO and molecular weight 167.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,4aS,8aS)-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one
Also Known As: BAS 02876046, (2R*,4aR*,8aR*)-2-Methyloctahydro-4(1H)-quinolinone, (2S,4aS,8aS)-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one
| Molecular Formula | C10H17NO |
|---|---|
| Molecular Weight | 167.13 g/mol |
| LogP | 1.4961 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 167.13101 |
| Heavy Atoms | 12 |
| Complexity | 190.2776 |
Chemical Identifiers
| CAS Number | 16041-56-8 |
|---|---|
| SMILES | C[C@H]1CC(=O)[C@H]2CCCC[C@@H]2N1 |
Product Overview
(2S,4aS,8aS)-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one (CAS 16041-56-8), with molecular formula C10H17NO and molecular weight 167.13 g/mol. IUPAC: (2S,4aS,8aS)-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one.
Chemical Property Profile of (2S,4aS,8aS)-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one
Property Insights of (2S,4aS,8aS)-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one
The XLogP value of 1.4961 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S,4aS,8aS)-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one. With a topological polar surface area (TPSA) of 29.1 Ų, (2S,4aS,8aS)-2-methyl-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, (2S,4aS,8aS)-2-methyl-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 (2S,4aS,8aS)-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one?
The CAS number of (2S,4aS,8aS)-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one is 16041-56-8.
What is the molecular formula of (2S,4aS,8aS)-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one?
The molecular formula of (2S,4aS,8aS)-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one is C10H17NO.
What is the molecular weight of (2S,4aS,8aS)-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one?
The molecular weight of (2S,4aS,8aS)-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one is 167.13 g/mol.
Where can I buy (2S,4aS,8aS)-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one?
You can request a quote for (2S,4aS,8aS)-2-methyl-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 (2S,4aS,8aS)-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for (2S,4aS,8aS)-2-methyl-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.