![4-[4-(Tert-butyl)phenoxy]-1-(dimethylamino)-1-penten-3-one structure](/static/products/4778/477865-01-3.webp)
4-[4-(Tert-butyl)phenoxy]-1-(dimethylamino)-1-penten-3-one
TL;DR: 4-[4-(Tert-butyl)phenoxy]-1-(dimethylamino)-1-penten-3-one (CAS 477865-01-3) is a chemical compound with molecular formula C17H25NO2 and molecular weight 275.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-tert-butylphenoxy)-1-(dimethylamino)pent-1-en-3-one
Also Known As: 4-[4-(tert-butyl)phenoxy]-1-(dimethylamino)-1-penten-3-one, 4-(4-tert-butylphenoxy)-1-(dimethylamino)pent-1-en-3-one
| Molecular Formula | C17H25NO2 |
|---|---|
| Molecular Weight | 275.19 g/mol |
| LogP | 3.3958 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 275.18854 |
| Heavy Atoms | 20 |
| Complexity | 466.7585 |
Chemical Identifiers
| CAS Number | 477865-01-3 |
|---|---|
| SMILES | CC(C(=O)C=CN(C)C)OC1=CC=C(C=C1)C(C)(C)C |
Product Overview
4-[4-(Tert-butyl)phenoxy]-1-(dimethylamino)-1-penten-3-one (CAS 477865-01-3), with molecular formula C17H25NO2 and molecular weight 275.19 g/mol. IUPAC: 4-(4-tert-butylphenoxy)-1-(dimethylamino)pent-1-en-3-one.
Chemical Property Profile of 4-[4-(Tert-butyl)phenoxy]-1-(dimethylamino)-1-penten-3-one
Property Insights of 4-[4-(Tert-butyl)phenoxy]-1-(dimethylamino)-1-penten-3-one
The XLogP value of 3.3958 indicates that 4-[4-(Tert-butyl)phenoxy]-1-(dimethylamino)-1-penten-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, 4-[4-(Tert-butyl)phenoxy]-1-(dimethylamino)-1-penten-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[4-(Tert-butyl)phenoxy]-1-(dimethylamino)-1-penten-3-one has 0 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 4-[4-(Tert-butyl)phenoxy]-1-(dimethylamino)-1-penten-3-one?
The CAS number of 4-[4-(Tert-butyl)phenoxy]-1-(dimethylamino)-1-penten-3-one is 477865-01-3.
What is the molecular formula of 4-[4-(Tert-butyl)phenoxy]-1-(dimethylamino)-1-penten-3-one?
The molecular formula of 4-[4-(Tert-butyl)phenoxy]-1-(dimethylamino)-1-penten-3-one is C17H25NO2.
What is the molecular weight of 4-[4-(Tert-butyl)phenoxy]-1-(dimethylamino)-1-penten-3-one?
The molecular weight of 4-[4-(Tert-butyl)phenoxy]-1-(dimethylamino)-1-penten-3-one is 275.19 g/mol.
Where can I buy 4-[4-(Tert-butyl)phenoxy]-1-(dimethylamino)-1-penten-3-one?
You can request a quote for 4-[4-(Tert-butyl)phenoxy]-1-(dimethylamino)-1-penten-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[4-(Tert-butyl)phenoxy]-1-(dimethylamino)-1-penten-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-[4-(Tert-butyl)phenoxy]-1-(dimethylamino)-1-penten-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.