3-((3-Aminophenyl)amino)-5,5-dimethylcyclohex-2-EN-1-one
TL;DR: 3-((3-Aminophenyl)amino)-5,5-dimethylcyclohex-2-EN-1-one (CAS 61997-81-7) is a chemical compound with molecular formula C14H18N2O and molecular weight 230.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-aminoanilino)-5,5-dimethylcyclohex-2-en-1-one
Also Known As: 3-((3-AMINOPHENYL)AMINO)-5,5-DIMETHYLCYCLOHEX-2-EN-1-ONE, 3-(3-aminoanilino)-5,5-dimethylcyclohex-2-en-1-one, 3-(3-amino-anilino)-5,5-dimethyl-cyclohex-2-enone, 3-(3-aminoanilino)-5,5-dimethyl-cyclohex-2-en-1-one, 3-[(3-aminophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one
| Molecular Formula | C14H18N2O |
|---|---|
| Molecular Weight | 230.14 g/mol |
| LogP | 2.9537 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.1419 |
| Heavy Atoms | 17 |
| Complexity | 474.86548 |
Chemical Identifiers
| CAS Number | 61997-81-7 |
|---|---|
| SMILES | CC1(CC(=CC(=O)C1)NC2=CC=CC(=C2)N)C |
Product Overview
3-((3-Aminophenyl)amino)-5,5-dimethylcyclohex-2-EN-1-one (CAS 61997-81-7), with molecular formula C14H18N2O and molecular weight 230.14 g/mol. IUPAC: 3-(3-aminoanilino)-5,5-dimethylcyclohex-2-en-1-one.
Chemical Property Profile of 3-((3-Aminophenyl)amino)-5,5-dimethylcyclohex-2-EN-1-one
Property Insights of 3-((3-Aminophenyl)amino)-5,5-dimethylcyclohex-2-EN-1-one
The XLogP value of 2.9537 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((3-Aminophenyl)amino)-5,5-dimethylcyclohex-2-EN-1-one. With a topological polar surface area (TPSA) of 55.12 Ų, 3-((3-Aminophenyl)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-Aminophenyl)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-((3-Aminophenyl)amino)-5,5-dimethylcyclohex-2-EN-1-one?
The CAS number of 3-((3-Aminophenyl)amino)-5,5-dimethylcyclohex-2-EN-1-one is 61997-81-7.
What is the molecular formula of 3-((3-Aminophenyl)amino)-5,5-dimethylcyclohex-2-EN-1-one?
The molecular formula of 3-((3-Aminophenyl)amino)-5,5-dimethylcyclohex-2-EN-1-one is C14H18N2O.
What is the molecular weight of 3-((3-Aminophenyl)amino)-5,5-dimethylcyclohex-2-EN-1-one?
The molecular weight of 3-((3-Aminophenyl)amino)-5,5-dimethylcyclohex-2-EN-1-one is 230.14 g/mol.
Where can I buy 3-((3-Aminophenyl)amino)-5,5-dimethylcyclohex-2-EN-1-one?
You can request a quote for 3-((3-Aminophenyl)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-Aminophenyl)amino)-5,5-dimethylcyclohex-2-EN-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-((3-Aminophenyl)amino)-5,5-dimethylcyclohex-2-EN-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.