1-tert-Butyl-3-(4-pyridyl)-2-propene-1-one
TL;DR: 1-tert-Butyl-3-(4-pyridyl)-2-propene-1-one (CAS 58344-36-8) is a chemical compound with molecular formula C12H15NO and molecular weight 189.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-1-pyridin-4-ylpent-1-en-3-one
Also Known As: D 437, 1-tert-Butyl-3-(4-pyridyl)-2-propene-1-one, 4,4-dimethyl-1-pyridin-4-ylpent-1-en-3-one, (E)-4,4-dimethyl-1-pyridin-4-ylpent-1-en-3-one, 1-Penten-3-one, 4,4-dimethyl-1-(4-pyridinyl)-
| Molecular Formula | C12H15NO |
|---|---|
| Molecular Weight | 189.12 g/mol |
| LogP | 2.71 |
| Topological Polar Surface Area | 29.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 189.11537 |
| Heavy Atoms | 14 |
| Complexity | 333.08942 |
Chemical Identifiers
| CAS Number | 58344-36-8 |
|---|---|
| SMILES | CC(C)(C)C(=O)C=CC1=CC=NC=C1 |
Product Overview
1-tert-Butyl-3-(4-pyridyl)-2-propene-1-one (CAS 58344-36-8), with molecular formula C12H15NO and molecular weight 189.12 g/mol. IUPAC: 4,4-dimethyl-1-pyridin-4-ylpent-1-en-3-one.
Chemical Property Profile of 1-tert-Butyl-3-(4-pyridyl)-2-propene-1-one
Property Insights of 1-tert-Butyl-3-(4-pyridyl)-2-propene-1-one
The XLogP value of 2.71 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-tert-Butyl-3-(4-pyridyl)-2-propene-1-one. With a topological polar surface area (TPSA) of 29.96 Ų, 1-tert-Butyl-3-(4-pyridyl)-2-propene-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-tert-Butyl-3-(4-pyridyl)-2-propene-1-one has 0 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-tert-Butyl-3-(4-pyridyl)-2-propene-1-one?
The CAS number of 1-tert-Butyl-3-(4-pyridyl)-2-propene-1-one is 58344-36-8.
What is the molecular formula of 1-tert-Butyl-3-(4-pyridyl)-2-propene-1-one?
The molecular formula of 1-tert-Butyl-3-(4-pyridyl)-2-propene-1-one is C12H15NO.
What is the molecular weight of 1-tert-Butyl-3-(4-pyridyl)-2-propene-1-one?
The molecular weight of 1-tert-Butyl-3-(4-pyridyl)-2-propene-1-one is 189.12 g/mol.
Where can I buy 1-tert-Butyl-3-(4-pyridyl)-2-propene-1-one?
You can request a quote for 1-tert-Butyl-3-(4-pyridyl)-2-propene-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-tert-Butyl-3-(4-pyridyl)-2-propene-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-tert-Butyl-3-(4-pyridyl)-2-propene-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.