![3-[(2-Amino-4-chlorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one structure](/static/products/3922/39222-71-4.webp)
3-[(2-Amino-4-chlorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one
TL;DR: 3-[(2-Amino-4-chlorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one (CAS 39222-71-4) is a chemical compound with molecular formula C14H17ClN2O and molecular weight 264.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-amino-4-chloroanilino)-5,5-dimethylcyclohex-2-en-1-one
Also Known As: 3-[(2-amino-4-chlorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one, J2.049.161B, 3-((2-Amino-4-chlorophenyl)amino)-5,5-dimethylcyclohex-2-en-1-one, 3-(2-amino-4-chloroanilino)-5,5-dimethylcyclohex-2-en-1-one, 3-(2-amino-4-chloroanilino)-5,5-dimethyl-2-cyclohexen-1-one
| Molecular Formula | C14H17ClN2O |
|---|---|
| Molecular Weight | 264.10 g/mol |
| LogP | 3.6071 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 264.10294 |
| Heavy Atoms | 18 |
| Complexity | 520.5253 |
Chemical Identifiers
| CAS Number | 39222-71-4 |
|---|---|
| SMILES | CC1(CC(=CC(=O)C1)NC2=C(C=C(C=C2)Cl)N)C |
Product Overview
3-[(2-Amino-4-chlorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one (CAS 39222-71-4), with molecular formula C14H17ClN2O and molecular weight 264.10 g/mol. IUPAC: 3-(2-amino-4-chloroanilino)-5,5-dimethylcyclohex-2-en-1-one.
Chemical Property Profile of 3-[(2-Amino-4-chlorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one
Property Insights of 3-[(2-Amino-4-chlorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one
The XLogP value of 3.6071 indicates that 3-[(2-Amino-4-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 55.12 Ų, 3-[(2-Amino-4-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-[(2-Amino-4-chlorophenyl)amino]-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-[(2-Amino-4-chlorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one?
The CAS number of 3-[(2-Amino-4-chlorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one is 39222-71-4.
What is the molecular formula of 3-[(2-Amino-4-chlorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one?
The molecular formula of 3-[(2-Amino-4-chlorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one is C14H17ClN2O.
What is the molecular weight of 3-[(2-Amino-4-chlorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one?
The molecular weight of 3-[(2-Amino-4-chlorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one is 264.10 g/mol.
Where can I buy 3-[(2-Amino-4-chlorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one?
You can request a quote for 3-[(2-Amino-4-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-[(2-Amino-4-chlorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2-Amino-4-chlorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.