3,3-Dimethyl-1-pyridin-2-ylbutan-2-one
TL;DR: 3,3-Dimethyl-1-pyridin-2-ylbutan-2-one (CAS 34552-04-0) is a chemical compound with molecular formula C11H15NO and molecular weight 177.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyl-1-pyridin-2-ylbutan-2-one
Also Known As: 3,3-dimethyl-1-pyridin-2-ylbutan-2-one, pivaloylmethylpyridine, t-butyl 2-picolyl ketone, 3,3-dimethyl-1-(pyridin-2-yl)butan-2-one, trans-1,2-Cyclohexanedimethanamine
| Molecular Formula | C11H15NO |
|---|---|
| Molecular Weight | 177.12 g/mol |
| LogP | 2.2393 |
| Topological Polar Surface Area | 29.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 177.11537 |
| Heavy Atoms | 13 |
| Complexity | 284.70862 |
Chemical Identifiers
| CAS Number | 34552-04-0 |
|---|---|
| SMILES | CC(C)(C)C(=O)CC1=CC=CC=N1 |
Product Overview
3,3-Dimethyl-1-pyridin-2-ylbutan-2-one (CAS 34552-04-0), with molecular formula C11H15NO and molecular weight 177.12 g/mol. IUPAC: 3,3-dimethyl-1-pyridin-2-ylbutan-2-one.
Chemical Property Profile of 3,3-Dimethyl-1-pyridin-2-ylbutan-2-one
Property Insights of 3,3-Dimethyl-1-pyridin-2-ylbutan-2-one
The XLogP value of 2.2393 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Dimethyl-1-pyridin-2-ylbutan-2-one. With a topological polar surface area (TPSA) of 29.96 Ų, 3,3-Dimethyl-1-pyridin-2-ylbutan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Dimethyl-1-pyridin-2-ylbutan-2-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 3,3-Dimethyl-1-pyridin-2-ylbutan-2-one?
The CAS number of 3,3-Dimethyl-1-pyridin-2-ylbutan-2-one is 34552-04-0.
What is the molecular formula of 3,3-Dimethyl-1-pyridin-2-ylbutan-2-one?
The molecular formula of 3,3-Dimethyl-1-pyridin-2-ylbutan-2-one is C11H15NO.
What is the molecular weight of 3,3-Dimethyl-1-pyridin-2-ylbutan-2-one?
The molecular weight of 3,3-Dimethyl-1-pyridin-2-ylbutan-2-one is 177.12 g/mol.
Where can I buy 3,3-Dimethyl-1-pyridin-2-ylbutan-2-one?
You can request a quote for 3,3-Dimethyl-1-pyridin-2-ylbutan-2-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-Dimethyl-1-pyridin-2-ylbutan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Dimethyl-1-pyridin-2-ylbutan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.