![3-[3-(1-Hydroxyethyl)anilino]-5,5-dimethylcyclohex-2-en-1-one structure](/static/products/6922/692276-23-6.webp)
3-[3-(1-Hydroxyethyl)anilino]-5,5-dimethylcyclohex-2-en-1-one
TL;DR: 3-[3-(1-Hydroxyethyl)anilino]-5,5-dimethylcyclohex-2-en-1-one (CAS 692276-23-6) 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-[3-(1-hydroxyethyl)anilino]-5,5-dimethylcyclohex-2-en-1-one
Also Known As: 3-[3-(1-hydroxyethyl)anilino]-5,5-dimethylcyclohex-2-en-1-one, 3-{[3-(1-hydroxyethyl)phenyl]amino}-5,5-dimethylcyclohex-2-en-1-one, 3-{[3-(1-hydroxyethyl)phenyl]amino}-5,5-dimethyl-2-cyclohexen-1-one, 3-[3-(1-hydroxyethyl)anilino]-5,5-dimethyl-1-cyclohex-2-enone, 3-[3-(1-hydroxyethyl)anilino]-5,5-dimethyl-cyclohex-2-en-1-one
| Molecular Formula | C16H21NO2 |
|---|---|
| Molecular Weight | 259.16 g/mol |
| LogP | 3.4248 |
| Topological Polar Surface Area | 49.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.15723 |
| Heavy Atoms | 19 |
| Complexity | 515.23517 |
Chemical Identifiers
| CAS Number | 692276-23-6 |
|---|---|
| SMILES | CC(C1=CC(=CC=C1)NC2=CC(=O)CC(C2)(C)C)O |
Product Overview
3-[3-(1-Hydroxyethyl)anilino]-5,5-dimethylcyclohex-2-en-1-one (CAS 692276-23-6), with molecular formula C16H21NO2 and molecular weight 259.16 g/mol. IUPAC: 3-[3-(1-hydroxyethyl)anilino]-5,5-dimethylcyclohex-2-en-1-one.
Chemical Property Profile of 3-[3-(1-Hydroxyethyl)anilino]-5,5-dimethylcyclohex-2-en-1-one
Property Insights of 3-[3-(1-Hydroxyethyl)anilino]-5,5-dimethylcyclohex-2-en-1-one
The XLogP value of 3.4248 indicates that 3-[3-(1-Hydroxyethyl)anilino]-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 49.33 Ų, 3-[3-(1-Hydroxyethyl)anilino]-5,5-dimethylcyclohex-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[3-(1-Hydroxyethyl)anilino]-5,5-dimethylcyclohex-2-en-1-one 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-[3-(1-Hydroxyethyl)anilino]-5,5-dimethylcyclohex-2-en-1-one?
The CAS number of 3-[3-(1-Hydroxyethyl)anilino]-5,5-dimethylcyclohex-2-en-1-one is 692276-23-6.
What is the molecular formula of 3-[3-(1-Hydroxyethyl)anilino]-5,5-dimethylcyclohex-2-en-1-one?
The molecular formula of 3-[3-(1-Hydroxyethyl)anilino]-5,5-dimethylcyclohex-2-en-1-one is C16H21NO2.
What is the molecular weight of 3-[3-(1-Hydroxyethyl)anilino]-5,5-dimethylcyclohex-2-en-1-one?
The molecular weight of 3-[3-(1-Hydroxyethyl)anilino]-5,5-dimethylcyclohex-2-en-1-one is 259.16 g/mol.
Where can I buy 3-[3-(1-Hydroxyethyl)anilino]-5,5-dimethylcyclohex-2-en-1-one?
You can request a quote for 3-[3-(1-Hydroxyethyl)anilino]-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-[3-(1-Hydroxyethyl)anilino]-5,5-dimethylcyclohex-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[3-(1-Hydroxyethyl)anilino]-5,5-dimethylcyclohex-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.