3-((2-(3,4-Dimethoxyphenyl)ethyl)amino)-5,5-dimethylcyclohex-2-EN-1-one
TL;DR: 3-((2-(3,4-Dimethoxyphenyl)ethyl)amino)-5,5-dimethylcyclohex-2-EN-1-one (CAS 95602-14-5) is a chemical compound with molecular formula C18H25NO3 and molecular weight 303.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(3,4-dimethoxyphenyl)ethylamino]-5,5-dimethylcyclohex-2-en-1-one
Also Known As: ChemDiv2_002085, 3-((2-(3,4-DIMETHOXYPHENYL)ETHYL)AMINO)-5,5-DIMETHYLCYCLOHEX-2-EN-1-ONE, 3-[2-(3,4-dimethoxyphenyl)ethylamino]-5,5-dimethylcyclohex-2-en-1-one, 3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-5,5-dimethylcyclohex-2-en-1-one, 3-[2-(3,4-dimethoxyphenyl)ethylamino]-5,5-dimethyl-cyclohex-2-en-1-one
| Molecular Formula | C18H25NO3 |
|---|---|
| Molecular Weight | 303.18 g/mol |
| LogP | 3.1089 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 303.18344 |
| Heavy Atoms | 22 |
| Complexity | 575.69507 |
Chemical Identifiers
| CAS Number | 95602-14-5 |
|---|---|
| SMILES | CC1(CC(=CC(=O)C1)NCCC2=CC(=C(C=C2)OC)OC)C |
Product Overview
3-((2-(3,4-Dimethoxyphenyl)ethyl)amino)-5,5-dimethylcyclohex-2-EN-1-one (CAS 95602-14-5), with molecular formula C18H25NO3 and molecular weight 303.18 g/mol. IUPAC: 3-[2-(3,4-dimethoxyphenyl)ethylamino]-5,5-dimethylcyclohex-2-en-1-one.
Chemical Property Profile of 3-((2-(3,4-Dimethoxyphenyl)ethyl)amino)-5,5-dimethylcyclohex-2-EN-1-one
Property Insights of 3-((2-(3,4-Dimethoxyphenyl)ethyl)amino)-5,5-dimethylcyclohex-2-EN-1-one
The XLogP value of 3.1089 indicates that 3-((2-(3,4-Dimethoxyphenyl)ethyl)amino)-5,5-dimethylcyclohex-2-EN-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.56 Ų, 3-((2-(3,4-Dimethoxyphenyl)ethyl)amino)-5,5-dimethylcyclohex-2-EN-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((2-(3,4-Dimethoxyphenyl)ethyl)amino)-5,5-dimethylcyclohex-2-EN-1-one has 1 hydrogen bond donor(s) and 4 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-((2-(3,4-Dimethoxyphenyl)ethyl)amino)-5,5-dimethylcyclohex-2-EN-1-one?
The CAS number of 3-((2-(3,4-Dimethoxyphenyl)ethyl)amino)-5,5-dimethylcyclohex-2-EN-1-one is 95602-14-5.
What is the molecular formula of 3-((2-(3,4-Dimethoxyphenyl)ethyl)amino)-5,5-dimethylcyclohex-2-EN-1-one?
The molecular formula of 3-((2-(3,4-Dimethoxyphenyl)ethyl)amino)-5,5-dimethylcyclohex-2-EN-1-one is C18H25NO3.
What is the molecular weight of 3-((2-(3,4-Dimethoxyphenyl)ethyl)amino)-5,5-dimethylcyclohex-2-EN-1-one?
The molecular weight of 3-((2-(3,4-Dimethoxyphenyl)ethyl)amino)-5,5-dimethylcyclohex-2-EN-1-one is 303.18 g/mol.
Where can I buy 3-((2-(3,4-Dimethoxyphenyl)ethyl)amino)-5,5-dimethylcyclohex-2-EN-1-one?
You can request a quote for 3-((2-(3,4-Dimethoxyphenyl)ethyl)amino)-5,5-dimethylcyclohex-2-EN-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((2-(3,4-Dimethoxyphenyl)ethyl)amino)-5,5-dimethylcyclohex-2-EN-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-((2-(3,4-Dimethoxyphenyl)ethyl)amino)-5,5-dimethylcyclohex-2-EN-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.