3-(((3,4-Dimethoxyphenyl)methyl)amino)cyclohex-2-EN-1-one
TL;DR: 3-(((3,4-Dimethoxyphenyl)methyl)amino)cyclohex-2-EN-1-one (CAS 1022706-42-8) is a chemical compound with molecular formula C15H19NO3 and molecular weight 261.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3,4-dimethoxyphenyl)methylamino]cyclohex-2-en-1-one
Also Known As: 3-[(3,4-dimethoxyphenyl)methylamino]cyclohex-2-en-1-one, 3-(((3,4-DIMETHOXYPHENYL)METHYL)AMINO)CYCLOHEX-2-EN-1-ONE, 3-{[(3,4-dimethoxyphenyl)methyl]amino}cyclohex-2-en-1-one
| Molecular Formula | C15H19NO3 |
|---|---|
| Molecular Weight | 261.14 g/mol |
| LogP | 2.4303 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 261.1365 |
| Heavy Atoms | 19 |
| Complexity | 494.1641 |
Chemical Identifiers
| CAS Number | 1022706-42-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CNC2=CC(=O)CCC2)OC |
Product Overview
3-(((3,4-Dimethoxyphenyl)methyl)amino)cyclohex-2-EN-1-one (CAS 1022706-42-8), with molecular formula C15H19NO3 and molecular weight 261.14 g/mol. IUPAC: 3-[(3,4-dimethoxyphenyl)methylamino]cyclohex-2-en-1-one.
Chemical Property Profile of 3-(((3,4-Dimethoxyphenyl)methyl)amino)cyclohex-2-EN-1-one
Property Insights of 3-(((3,4-Dimethoxyphenyl)methyl)amino)cyclohex-2-EN-1-one
The XLogP value of 2.4303 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(((3,4-Dimethoxyphenyl)methyl)amino)cyclohex-2-EN-1-one. With a topological polar surface area (TPSA) of 47.56 Ų, 3-(((3,4-Dimethoxyphenyl)methyl)amino)cyclohex-2-EN-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(((3,4-Dimethoxyphenyl)methyl)amino)cyclohex-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-(((3,4-Dimethoxyphenyl)methyl)amino)cyclohex-2-EN-1-one?
The CAS number of 3-(((3,4-Dimethoxyphenyl)methyl)amino)cyclohex-2-EN-1-one is 1022706-42-8.
What is the molecular formula of 3-(((3,4-Dimethoxyphenyl)methyl)amino)cyclohex-2-EN-1-one?
The molecular formula of 3-(((3,4-Dimethoxyphenyl)methyl)amino)cyclohex-2-EN-1-one is C15H19NO3.
What is the molecular weight of 3-(((3,4-Dimethoxyphenyl)methyl)amino)cyclohex-2-EN-1-one?
The molecular weight of 3-(((3,4-Dimethoxyphenyl)methyl)amino)cyclohex-2-EN-1-one is 261.14 g/mol.
Where can I buy 3-(((3,4-Dimethoxyphenyl)methyl)amino)cyclohex-2-EN-1-one?
You can request a quote for 3-(((3,4-Dimethoxyphenyl)methyl)amino)cyclohex-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-(((3,4-Dimethoxyphenyl)methyl)amino)cyclohex-2-EN-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(((3,4-Dimethoxyphenyl)methyl)amino)cyclohex-2-EN-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.