3-((((1R,3S)-3-(2-hydroxy-2-methylpropyl)-2,2-dimethylcyclopropyl)methyl)amino)cyclohex-2-enone
TL;DR: 3-((((1R,3S)-3-(2-hydroxy-2-methylpropyl)-2,2-dimethylcyclopropyl)methyl)amino)cyclohex-2-enone (CAS 449796-71-8) is a chemical compound with molecular formula C16H27NO2 and molecular weight 265.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(1R,3S)-3-(2-hydroxy-2-methylpropyl)-2,2-dimethylcyclopropyl]methylamino]cyclohex-2-en-1-one
Also Known As: 3-((((1R,3S)-3-(2-hydroxy-2-methylpropyl)-2,2-dimethylcyclopropyl)methyl)amino)cyclohex-2-enone, 3-[[(1R,3S)-3-(2-hydroxy-2-methylpropyl)-2,2-dimethylcyclopropyl]methylamino]cyclohex-2-en-1-one
| Molecular Formula | C16H27NO2 |
|---|---|
| Molecular Weight | 265.20 g/mol |
| LogP | 2.6461 |
| Topological Polar Surface Area | 49.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 265.2042 |
| Heavy Atoms | 19 |
| Complexity | 390.04333 |
Chemical Identifiers
| CAS Number | 449796-71-8 |
|---|---|
| SMILES | CC1([C@H]([C@H]1CNC2=CC(=O)CCC2)CC(C)(C)O)C |
Product Overview
3-((((1R,3S)-3-(2-hydroxy-2-methylpropyl)-2,2-dimethylcyclopropyl)methyl)amino)cyclohex-2-enone (CAS 449796-71-8), with molecular formula C16H27NO2 and molecular weight 265.20 g/mol. IUPAC: 3-[[(1R,3S)-3-(2-hydroxy-2-methylpropyl)-2,2-dimethylcyclopropyl]methylamino]cyclohex-2-en-1-one.
Chemical Property Profile of 3-((((1R,3S)-3-(2-hydroxy-2-methylpropyl)-2,2-dimethylcyclopropyl)methyl)amino)cyclohex-2-enone
Property Insights of 3-((((1R,3S)-3-(2-hydroxy-2-methylpropyl)-2,2-dimethylcyclopropyl)methyl)amino)cyclohex-2-enone
The XLogP value of 2.6461 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((((1R,3S)-3-(2-hydroxy-2-methylpropyl)-2,2-dimethylcyclopropyl)methyl)amino)cyclohex-2-enone. With a topological polar surface area (TPSA) of 49.33 Ų, 3-((((1R,3S)-3-(2-hydroxy-2-methylpropyl)-2,2-dimethylcyclopropyl)methyl)amino)cyclohex-2-enone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((((1R,3S)-3-(2-hydroxy-2-methylpropyl)-2,2-dimethylcyclopropyl)methyl)amino)cyclohex-2-enone has 2 hydrogen bond donor(s) and 3 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 3-((((1R,3S)-3-(2-hydroxy-2-methylpropyl)-2,2-dimethylcyclopropyl)methyl)amino)cyclohex-2-enone?
The CAS number of 3-((((1R,3S)-3-(2-hydroxy-2-methylpropyl)-2,2-dimethylcyclopropyl)methyl)amino)cyclohex-2-enone is 449796-71-8.
What is the molecular formula of 3-((((1R,3S)-3-(2-hydroxy-2-methylpropyl)-2,2-dimethylcyclopropyl)methyl)amino)cyclohex-2-enone?
The molecular formula of 3-((((1R,3S)-3-(2-hydroxy-2-methylpropyl)-2,2-dimethylcyclopropyl)methyl)amino)cyclohex-2-enone is C16H27NO2.
What is the molecular weight of 3-((((1R,3S)-3-(2-hydroxy-2-methylpropyl)-2,2-dimethylcyclopropyl)methyl)amino)cyclohex-2-enone?
The molecular weight of 3-((((1R,3S)-3-(2-hydroxy-2-methylpropyl)-2,2-dimethylcyclopropyl)methyl)amino)cyclohex-2-enone is 265.20 g/mol.
Where can I buy 3-((((1R,3S)-3-(2-hydroxy-2-methylpropyl)-2,2-dimethylcyclopropyl)methyl)amino)cyclohex-2-enone?
You can request a quote for 3-((((1R,3S)-3-(2-hydroxy-2-methylpropyl)-2,2-dimethylcyclopropyl)methyl)amino)cyclohex-2-enone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((((1R,3S)-3-(2-hydroxy-2-methylpropyl)-2,2-dimethylcyclopropyl)methyl)amino)cyclohex-2-enone?
Yes, KEHONG BIO provides custom synthesis services for 3-((((1R,3S)-3-(2-hydroxy-2-methylpropyl)-2,2-dimethylcyclopropyl)methyl)amino)cyclohex-2-enone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.