1-((2,5-Dimethylphenyl)amino)-4,4-dimethylpent-1-en-3-one
TL;DR: 1-((2,5-Dimethylphenyl)amino)-4,4-dimethylpent-1-en-3-one (CAS 887572-93-2) is a chemical compound with molecular formula C15H21NO and molecular weight 231.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,5-dimethylanilino)-4,4-dimethylpent-1-en-3-one
Also Known As: 1-(2,5-dimethylanilino)-4,4-dimethylpent-1-en-3-one, 1-((2,5-Dimethylphenyl)amino)-4,4-dimethylpent-1-en-3-one, 1-[(2,5-dimethylphenyl)imino]-4,4-dimethyl-2-penten-3-ol
| Molecular Formula | C15H21NO |
|---|---|
| Molecular Weight | 231.16 g/mol |
| LogP | 3.84424 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.16231 |
| Heavy Atoms | 17 |
| Complexity | 438.7253 |
Chemical Identifiers
| CAS Number | 887572-93-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)NC=CC(=O)C(C)(C)C |
Product Overview
1-((2,5-Dimethylphenyl)amino)-4,4-dimethylpent-1-en-3-one (CAS 887572-93-2), with molecular formula C15H21NO and molecular weight 231.16 g/mol. IUPAC: 1-(2,5-dimethylanilino)-4,4-dimethylpent-1-en-3-one.
Chemical Property Profile of 1-((2,5-Dimethylphenyl)amino)-4,4-dimethylpent-1-en-3-one
Property Insights of 1-((2,5-Dimethylphenyl)amino)-4,4-dimethylpent-1-en-3-one
The XLogP value of 3.84424 indicates that 1-((2,5-Dimethylphenyl)amino)-4,4-dimethylpent-1-en-3-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, 1-((2,5-Dimethylphenyl)amino)-4,4-dimethylpent-1-en-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-((2,5-Dimethylphenyl)amino)-4,4-dimethylpent-1-en-3-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 1-((2,5-Dimethylphenyl)amino)-4,4-dimethylpent-1-en-3-one?
The CAS number of 1-((2,5-Dimethylphenyl)amino)-4,4-dimethylpent-1-en-3-one is 887572-93-2.
What is the molecular formula of 1-((2,5-Dimethylphenyl)amino)-4,4-dimethylpent-1-en-3-one?
The molecular formula of 1-((2,5-Dimethylphenyl)amino)-4,4-dimethylpent-1-en-3-one is C15H21NO.
What is the molecular weight of 1-((2,5-Dimethylphenyl)amino)-4,4-dimethylpent-1-en-3-one?
The molecular weight of 1-((2,5-Dimethylphenyl)amino)-4,4-dimethylpent-1-en-3-one is 231.16 g/mol.
Where can I buy 1-((2,5-Dimethylphenyl)amino)-4,4-dimethylpent-1-en-3-one?
You can request a quote for 1-((2,5-Dimethylphenyl)amino)-4,4-dimethylpent-1-en-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-((2,5-Dimethylphenyl)amino)-4,4-dimethylpent-1-en-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1-((2,5-Dimethylphenyl)amino)-4,4-dimethylpent-1-en-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.