![3-[(3-Chlorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one structure](/static/products/5068/50685-29-5.webp)
3-[(3-Chlorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one
TL;DR: 3-[(3-Chlorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one (CAS 50685-29-5) is a chemical compound with molecular formula C14H16ClNO and molecular weight 249.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chloroanilino)-5,5-dimethylcyclohex-2-en-1-one
Also Known As: 3-[(3-chlorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one, 3-(3-chloroanilino)-5,5-dimethylcyclohex-2-en-1-one, J2.769.273G, 3-((3-Chlorophenyl)amino)-5,5-dimethylcyclohex-2-enone, 3-(3'-Chloranilin)-5.5-dimethylcyclohex-2-en-1-on
| Molecular Formula | C14H16ClNO |
|---|---|
| Molecular Weight | 249.09 g/mol |
| LogP | 4.0249 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.09204 |
| Heavy Atoms | 17 |
| Complexity | 476.86548 |
Chemical Identifiers
| CAS Number | 50685-29-5 |
|---|---|
| SMILES | CC1(CC(=CC(=O)C1)NC2=CC(=CC=C2)Cl)C |
Product Overview
3-[(3-Chlorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one (CAS 50685-29-5), with molecular formula C14H16ClNO and molecular weight 249.09 g/mol. IUPAC: 3-(3-chloroanilino)-5,5-dimethylcyclohex-2-en-1-one.
Chemical Property Profile of 3-[(3-Chlorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one
Property Insights of 3-[(3-Chlorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one
The XLogP value of 4.0249 indicates that 3-[(3-Chlorophenyl)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 29.1 Ų, 3-[(3-Chlorophenyl)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-[(3-Chlorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one has 1 hydrogen bond donor(s) and 2 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-Chlorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one?
The CAS number of 3-[(3-Chlorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one is 50685-29-5.
What is the molecular formula of 3-[(3-Chlorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one?
The molecular formula of 3-[(3-Chlorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one is C14H16ClNO.
What is the molecular weight of 3-[(3-Chlorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one?
The molecular weight of 3-[(3-Chlorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one is 249.09 g/mol.
Where can I buy 3-[(3-Chlorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one?
You can request a quote for 3-[(3-Chlorophenyl)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-[(3-Chlorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3-Chlorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.