2-Methyl-octahydro-quinolin-4-one
TL;DR: 2-Methyl-octahydro-quinolin-4-one (CAS 877076-38-5) 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.
2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one
Also Known As: 2-Methyl-octahydro-quinolin-4-one, 2-methyloctahydroquinolin-4(1H)-one, Ethyl pentafluorobenzoate, 2-Methyl-decahydro-chinoxalin, 2-methyl-4-oxodecahydroquinoline
| Molecular Formula | C10H17NO |
|---|---|
| Molecular Weight | 167.13 g/mol |
| LogP | 1.2 |
| 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 | 190.0 |
Chemical Identifiers
| CAS Number | 877076-38-5 |
|---|---|
| SMILES | CC1CC(=O)C2CCCCC2N1 |
| InChIKey | SEAPKWHFVCCJBB-UHFFFAOYSA-N |
Product Overview
2-Methyl-octahydro-quinolin-4-one (CAS 877076-38-5), with molecular formula C10H17NO and molecular weight 167.13 g/mol. IUPAC: 2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one.
Chemical Property Profile of 2-Methyl-octahydro-quinolin-4-one
Property Insights of 2-Methyl-octahydro-quinolin-4-one
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-octahydro-quinolin-4-one. With a topological polar surface area (TPSA) of 29.1 Ų, 2-Methyl-octahydro-quinolin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-octahydro-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 2-Methyl-octahydro-quinolin-4-one?
The CAS number of 2-Methyl-octahydro-quinolin-4-one is 877076-38-5.
What is the molecular formula of 2-Methyl-octahydro-quinolin-4-one?
The molecular formula of 2-Methyl-octahydro-quinolin-4-one is C10H17NO.
What is the molecular weight of 2-Methyl-octahydro-quinolin-4-one?
The molecular weight of 2-Methyl-octahydro-quinolin-4-one is 167.13 g/mol.
Where can I buy 2-Methyl-octahydro-quinolin-4-one?
You can request a quote for 2-Methyl-octahydro-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 2-Methyl-octahydro-quinolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-octahydro-quinolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.