3-((4-(Dimethylamino)phenyl)amino)-2-bromo-5,5-dimethylcyclohex-2-EN-1-one
TL;DR: 3-((4-(Dimethylamino)phenyl)amino)-2-bromo-5,5-dimethylcyclohex-2-EN-1-one (CAS 1023865-46-4) is a chemical compound with molecular formula C16H21BrN2O and molecular weight 336.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-3-[4-(dimethylamino)anilino]-5,5-dimethylcyclohex-2-en-1-one
Also Known As: 3-((4-(DIMETHYLAMINO)PHENYL)AMINO)-2-BROMO-5,5-DIMETHYLCYCLOHEX-2-EN-1-ONE, 2-bromo-3-[4-(dimethylamino)anilino]-5,5-dimethylcyclohex-2-en-1-one, 2-bromo-3-{[4-(dimethylamino)phenyl]amino}-5,5-dimethylcyclohex-2-en-1-one, 2-bromo-3-[(4-dimethylaminophenyl)amino]-5,5-dimethyl-cyclohex-2-en-1-one, 2-bromo-3-[4-(dimethylamino)anilino]-5,5-dimethyl-cyclohex-2-en-1-one
| Molecular Formula | C16H21BrN2O |
|---|---|
| Molecular Weight | 336.08 g/mol |
| LogP | 4.1601 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 336.08374 |
| Heavy Atoms | 20 |
| Complexity | 544.1002 |
Chemical Identifiers
| CAS Number | 1023865-46-4 |
|---|---|
| SMILES | CC1(CC(=C(C(=O)C1)Br)NC2=CC=C(C=C2)N(C)C)C |
Product Overview
3-((4-(Dimethylamino)phenyl)amino)-2-bromo-5,5-dimethylcyclohex-2-EN-1-one (CAS 1023865-46-4), with molecular formula C16H21BrN2O and molecular weight 336.08 g/mol. IUPAC: 2-bromo-3-[4-(dimethylamino)anilino]-5,5-dimethylcyclohex-2-en-1-one.
Chemical Property Profile of 3-((4-(Dimethylamino)phenyl)amino)-2-bromo-5,5-dimethylcyclohex-2-EN-1-one
Property Insights of 3-((4-(Dimethylamino)phenyl)amino)-2-bromo-5,5-dimethylcyclohex-2-EN-1-one
The XLogP value of 4.1601 indicates that 3-((4-(Dimethylamino)phenyl)amino)-2-bromo-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 32.34 Ų, 3-((4-(Dimethylamino)phenyl)amino)-2-bromo-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-(Dimethylamino)phenyl)amino)-2-bromo-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-(Dimethylamino)phenyl)amino)-2-bromo-5,5-dimethylcyclohex-2-EN-1-one?
The CAS number of 3-((4-(Dimethylamino)phenyl)amino)-2-bromo-5,5-dimethylcyclohex-2-EN-1-one is 1023865-46-4.
What is the molecular formula of 3-((4-(Dimethylamino)phenyl)amino)-2-bromo-5,5-dimethylcyclohex-2-EN-1-one?
The molecular formula of 3-((4-(Dimethylamino)phenyl)amino)-2-bromo-5,5-dimethylcyclohex-2-EN-1-one is C16H21BrN2O.
What is the molecular weight of 3-((4-(Dimethylamino)phenyl)amino)-2-bromo-5,5-dimethylcyclohex-2-EN-1-one?
The molecular weight of 3-((4-(Dimethylamino)phenyl)amino)-2-bromo-5,5-dimethylcyclohex-2-EN-1-one is 336.08 g/mol.
Where can I buy 3-((4-(Dimethylamino)phenyl)amino)-2-bromo-5,5-dimethylcyclohex-2-EN-1-one?
You can request a quote for 3-((4-(Dimethylamino)phenyl)amino)-2-bromo-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-(Dimethylamino)phenyl)amino)-2-bromo-5,5-dimethylcyclohex-2-EN-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-((4-(Dimethylamino)phenyl)amino)-2-bromo-5,5-dimethylcyclohex-2-EN-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.