![3-[(4-Methoxyphenyl)methylamino]-5,5-dimethylcyclohex-2-en-1-one structure](/static/products/2588/258877-54-2.webp)
3-[(4-Methoxyphenyl)methylamino]-5,5-dimethylcyclohex-2-en-1-one
TL;DR: 3-[(4-Methoxyphenyl)methylamino]-5,5-dimethylcyclohex-2-en-1-one (CAS 258877-54-2) is a chemical compound with molecular formula C16H21NO2 and molecular weight 259.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-methoxyphenyl)methylamino]-5,5-dimethylcyclohex-2-en-1-one
Also Known As: 3-((4-methoxybenzyl)amino)-5,5-dimethylcyclohex-2-enone, 3-[(4-methoxyphenyl)methylamino]-5,5-dimethylcyclohex-2-en-1-one, 3-[(4-methoxybenzyl)amino]-5,5-dimethyl-2-cyclohexen-1-one, 3-[(4-methoxybenzyl)amino]-5,5-dimethylcyclohex-2-en-1-one, 3-{[(4-METHOXYPHENYL)METHYL]AMINO}-5,5-DIMETHYLCYCLOHEX-2-EN-1-ONE
| Molecular Formula | C16H21NO2 |
|---|---|
| Molecular Weight | 259.16 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.15723 |
| Heavy Atoms | 19 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 258877-54-2 |
|---|---|
| SMILES | CC1(CC(=CC(=O)C1)NCC2=CC=C(C=C2)OC)C |
| InChIKey | JQABLZUMIRSMET-UHFFFAOYSA-N |
Product Overview
3-[(4-Methoxyphenyl)methylamino]-5,5-dimethylcyclohex-2-en-1-one (CAS 258877-54-2), with molecular formula C16H21NO2 and molecular weight 259.16 g/mol. IUPAC: 3-[(4-methoxyphenyl)methylamino]-5,5-dimethylcyclohex-2-en-1-one.
Chemical Property Profile of 3-[(4-Methoxyphenyl)methylamino]-5,5-dimethylcyclohex-2-en-1-one
Property Insights of 3-[(4-Methoxyphenyl)methylamino]-5,5-dimethylcyclohex-2-en-1-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(4-Methoxyphenyl)methylamino]-5,5-dimethylcyclohex-2-en-1-one. With a topological polar surface area (TPSA) of 38.3 Ų, 3-[(4-Methoxyphenyl)methylamino]-5,5-dimethylcyclohex-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(4-Methoxyphenyl)methylamino]-5,5-dimethylcyclohex-2-en-1-one has 1 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-[(4-Methoxyphenyl)methylamino]-5,5-dimethylcyclohex-2-en-1-one?
The CAS number of 3-[(4-Methoxyphenyl)methylamino]-5,5-dimethylcyclohex-2-en-1-one is 258877-54-2.
What is the molecular formula of 3-[(4-Methoxyphenyl)methylamino]-5,5-dimethylcyclohex-2-en-1-one?
The molecular formula of 3-[(4-Methoxyphenyl)methylamino]-5,5-dimethylcyclohex-2-en-1-one is C16H21NO2.
What is the molecular weight of 3-[(4-Methoxyphenyl)methylamino]-5,5-dimethylcyclohex-2-en-1-one?
The molecular weight of 3-[(4-Methoxyphenyl)methylamino]-5,5-dimethylcyclohex-2-en-1-one is 259.16 g/mol.
Where can I buy 3-[(4-Methoxyphenyl)methylamino]-5,5-dimethylcyclohex-2-en-1-one?
You can request a quote for 3-[(4-Methoxyphenyl)methylamino]-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-[(4-Methoxyphenyl)methylamino]-5,5-dimethylcyclohex-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-Methoxyphenyl)methylamino]-5,5-dimethylcyclohex-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.