![5,5-Dimethyl-3-[(3,4,5-trimethoxyphenyl)amino]cyclohex-2-en-1-one structure](/static/products/353/353471-56-4.png)
5,5-Dimethyl-3-[(3,4,5-trimethoxyphenyl)amino]cyclohex-2-en-1-one
TL;DR: 5,5-Dimethyl-3-[(3,4,5-trimethoxyphenyl)amino]cyclohex-2-en-1-one (CAS 353471-56-4) is a chemical compound with molecular formula C17H23NO4 and molecular weight 305.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dimethyl-3-(3,4,5-trimethoxyanilino)cyclohex-2-en-1-one
Also Known As: 5,5-dimethyl-3-[(3,4,5-trimethoxyphenyl)amino]cyclohex-2-en-1-one, 5,5-dimethyl-3-(3,4,5-trimethoxyanilino)-2-cyclohexen-1-one, 5,5-dimethyl-3-(3,4,5-trimethoxyanilino)cyclohex-2-en-1-one, 5,5-dimethyl-3-(3,4,5-trimethoxyanilino)-1-cyclohex-2-enone, 5,5-dimethyl-3-((3,4,5-trimethoxyphenyl)amino)cyclohex-2-enone
| Molecular Formula | C17H23NO4 |
|---|---|
| Molecular Weight | 305.16 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 305.16272 |
| Heavy Atoms | 22 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 353471-56-4 |
|---|---|
| SMILES | CC1(CC(=CC(=O)C1)NC2=CC(=C(C(=C2)OC)OC)OC)C |
| InChIKey | ZVORVVHVVXSAFD-UHFFFAOYSA-N |
Product Overview
5,5-Dimethyl-3-[(3,4,5-trimethoxyphenyl)amino]cyclohex-2-en-1-one (CAS 353471-56-4), with molecular formula C17H23NO4 and molecular weight 305.16 g/mol. IUPAC: 5,5-dimethyl-3-(3,4,5-trimethoxyanilino)cyclohex-2-en-1-one.
Chemical Property Profile of 5,5-Dimethyl-3-[(3,4,5-trimethoxyphenyl)amino]cyclohex-2-en-1-one
Property Insights of 5,5-Dimethyl-3-[(3,4,5-trimethoxyphenyl)amino]cyclohex-2-en-1-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,5-Dimethyl-3-[(3,4,5-trimethoxyphenyl)amino]cyclohex-2-en-1-one. With a topological polar surface area (TPSA) of 56.8 Ų, 5,5-Dimethyl-3-[(3,4,5-trimethoxyphenyl)amino]cyclohex-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,5-Dimethyl-3-[(3,4,5-trimethoxyphenyl)amino]cyclohex-2-en-1-one has 1 hydrogen bond donor(s) and 5 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 5,5-Dimethyl-3-[(3,4,5-trimethoxyphenyl)amino]cyclohex-2-en-1-one?
The CAS number of 5,5-Dimethyl-3-[(3,4,5-trimethoxyphenyl)amino]cyclohex-2-en-1-one is 353471-56-4.
What is the molecular formula of 5,5-Dimethyl-3-[(3,4,5-trimethoxyphenyl)amino]cyclohex-2-en-1-one?
The molecular formula of 5,5-Dimethyl-3-[(3,4,5-trimethoxyphenyl)amino]cyclohex-2-en-1-one is C17H23NO4.
What is the molecular weight of 5,5-Dimethyl-3-[(3,4,5-trimethoxyphenyl)amino]cyclohex-2-en-1-one?
The molecular weight of 5,5-Dimethyl-3-[(3,4,5-trimethoxyphenyl)amino]cyclohex-2-en-1-one is 305.16 g/mol.
Where can I buy 5,5-Dimethyl-3-[(3,4,5-trimethoxyphenyl)amino]cyclohex-2-en-1-one?
You can request a quote for 5,5-Dimethyl-3-[(3,4,5-trimethoxyphenyl)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 5,5-Dimethyl-3-[(3,4,5-trimethoxyphenyl)amino]cyclohex-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 5,5-Dimethyl-3-[(3,4,5-trimethoxyphenyl)amino]cyclohex-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.