rac-(2S,4aR,8aR)-2-methyloctahydro-4(1H)-quinolinone
TL;DR: rac-(2S,4aR,8aR)-2-methyloctahydro-4(1H)-quinolinone (CAS 41854-83-5) 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,4aR,8aR)-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one
Also Known As: rac-(2S,4aR,8aR)-2-methyloctahydro-4(1H)-quinolinone, (2S,4aR,8aR)-2-methyl-decahydroquinolin-4-one, Y-6410, (2S,4Ar,8aR)-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one, (2S,4aR,8aR)-2-methyl-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 | 41854-83-5 |
|---|---|
| SMILES | C[C@H]1CC(=O)[C@@H]2CCCC[C@H]2N1 |
Product Overview
rac-(2S,4aR,8aR)-2-methyloctahydro-4(1H)-quinolinone (CAS 41854-83-5), with molecular formula C10H17NO and molecular weight 167.13 g/mol. IUPAC: (2S,4aR,8aR)-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one.
Chemical Property Profile of rac-(2S,4aR,8aR)-2-methyloctahydro-4(1H)-quinolinone
Property Insights of rac-(2S,4aR,8aR)-2-methyloctahydro-4(1H)-quinolinone
The XLogP value of 1.4961 suggests moderate lipophilicity, balancing water solubility and membrane permeability for rac-(2S,4aR,8aR)-2-methyloctahydro-4(1H)-quinolinone. With a topological polar surface area (TPSA) of 29.1 Ų, rac-(2S,4aR,8aR)-2-methyloctahydro-4(1H)-quinolinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, rac-(2S,4aR,8aR)-2-methyloctahydro-4(1H)-quinolinone 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 rac-(2S,4aR,8aR)-2-methyloctahydro-4(1H)-quinolinone?
The CAS number of rac-(2S,4aR,8aR)-2-methyloctahydro-4(1H)-quinolinone is 41854-83-5.
What is the molecular formula of rac-(2S,4aR,8aR)-2-methyloctahydro-4(1H)-quinolinone?
The molecular formula of rac-(2S,4aR,8aR)-2-methyloctahydro-4(1H)-quinolinone is C10H17NO.
What is the molecular weight of rac-(2S,4aR,8aR)-2-methyloctahydro-4(1H)-quinolinone?
The molecular weight of rac-(2S,4aR,8aR)-2-methyloctahydro-4(1H)-quinolinone is 167.13 g/mol.
Where can I buy rac-(2S,4aR,8aR)-2-methyloctahydro-4(1H)-quinolinone?
You can request a quote for rac-(2S,4aR,8aR)-2-methyloctahydro-4(1H)-quinolinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for rac-(2S,4aR,8aR)-2-methyloctahydro-4(1H)-quinolinone?
Yes, KEHONG BIO provides custom synthesis services for rac-(2S,4aR,8aR)-2-methyloctahydro-4(1H)-quinolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.