6-(2-Pyridyl)-2,4,4-Trimethyl-3-Hexanone
TL;DR: 6-(2-Pyridyl)-2,4,4-Trimethyl-3-Hexanone (CAS 200113-56-0) is a chemical compound with molecular formula C14H21NO and molecular weight 219.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,4-trimethyl-6-pyridin-2-ylhexan-3-one
Also Known As: NCIStruc1_000351, NCIStruc2_000364, 6-(2-Pyridyl)-2,4,4-Trimethyl-3-Hexanone, NCI60_003982, 2,4,4-trimethyl-6-(2-pyridinyl)-3-hexanone
| Molecular Formula | C14H21NO |
|---|---|
| Molecular Weight | 219.16 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 30.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 219.16231 |
| Heavy Atoms | 16 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 200113-56-0 |
|---|---|
| SMILES | CC(C)C(=O)C(C)(C)CCC1=CC=CC=N1 |
| InChIKey | AFRSTASSLOUGOV-UHFFFAOYSA-N |
Product Overview
6-(2-Pyridyl)-2,4,4-Trimethyl-3-Hexanone (CAS 200113-56-0), with molecular formula C14H21NO and molecular weight 219.16 g/mol. IUPAC: 2,4,4-trimethyl-6-pyridin-2-ylhexan-3-one.
Chemical Property Profile of 6-(2-Pyridyl)-2,4,4-Trimethyl-3-Hexanone
Property Insights of 6-(2-Pyridyl)-2,4,4-Trimethyl-3-Hexanone
The XLogP value of 3.1 indicates that 6-(2-Pyridyl)-2,4,4-Trimethyl-3-Hexanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.0 Ų, 6-(2-Pyridyl)-2,4,4-Trimethyl-3-Hexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(2-Pyridyl)-2,4,4-Trimethyl-3-Hexanone 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 6-(2-Pyridyl)-2,4,4-Trimethyl-3-Hexanone?
The CAS number of 6-(2-Pyridyl)-2,4,4-Trimethyl-3-Hexanone is 200113-56-0.
What is the molecular formula of 6-(2-Pyridyl)-2,4,4-Trimethyl-3-Hexanone?
The molecular formula of 6-(2-Pyridyl)-2,4,4-Trimethyl-3-Hexanone is C14H21NO.
What is the molecular weight of 6-(2-Pyridyl)-2,4,4-Trimethyl-3-Hexanone?
The molecular weight of 6-(2-Pyridyl)-2,4,4-Trimethyl-3-Hexanone is 219.16 g/mol.
Where can I buy 6-(2-Pyridyl)-2,4,4-Trimethyl-3-Hexanone?
You can request a quote for 6-(2-Pyridyl)-2,4,4-Trimethyl-3-Hexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(2-Pyridyl)-2,4,4-Trimethyl-3-Hexanone?
Yes, KEHONG BIO provides custom synthesis services for 6-(2-Pyridyl)-2,4,4-Trimethyl-3-Hexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.