2,6-Bis(tert-butylamino)-4-methylpyridin-3-yl methyl ketone
TL;DR: 2,6-Bis(tert-butylamino)-4-methylpyridin-3-yl methyl ketone (CAS 58253-99-9) is a chemical compound with molecular formula C16H27N3O and molecular weight 277.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2,6-bis(tert-butylamino)-4-methyl-3-pyridinyl]ethanone
Also Known As: 2,6-Bis(tert-butylamino)-4-methylpyridin-3-yl methyl ketone, KST-1B6075, 2,6-di-t-butylamino-3-acetyl-4-methylpyridine, 3-Acetyl-2,6-di-t-butylamino-4-methylpyridine, 1-[2,6-di(tert-butylamino)-4-methyl-3-pyridyl]ethan-1-one
| Molecular Formula | C16H27N3O |
|---|---|
| Molecular Weight | 277.22 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 277.21542 |
| Heavy Atoms | 20 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 58253-99-9 |
|---|---|
| SMILES | CC1=CC(=NC(=C1C(=O)C)NC(C)(C)C)NC(C)(C)C |
| InChIKey | DTTLJUGHKIRCHU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-Bis(tert-butylamino)-4-methylpyridin-3-yl methyl ketone (CAS 58253-99-9), with molecular formula C16H27N3O and molecular weight 277.22 g/mol. IUPAC: 1-[2,6-bis(tert-butylamino)-4-methyl-3-pyridinyl]ethanone.
Chemical Property Profile of 2,6-Bis(tert-butylamino)-4-methylpyridin-3-yl methyl ketone
Property Insights of 2,6-Bis(tert-butylamino)-4-methylpyridin-3-yl methyl ketone
The XLogP value of 4.1 indicates that 2,6-Bis(tert-butylamino)-4-methylpyridin-3-yl methyl ketone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.0 Ų, 2,6-Bis(tert-butylamino)-4-methylpyridin-3-yl methyl ketone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Bis(tert-butylamino)-4-methylpyridin-3-yl methyl ketone has 2 hydrogen bond donor(s) and 4 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 2,6-Bis(tert-butylamino)-4-methylpyridin-3-yl methyl ketone?
The CAS number of 2,6-Bis(tert-butylamino)-4-methylpyridin-3-yl methyl ketone is 58253-99-9.
What is the molecular formula of 2,6-Bis(tert-butylamino)-4-methylpyridin-3-yl methyl ketone?
The molecular formula of 2,6-Bis(tert-butylamino)-4-methylpyridin-3-yl methyl ketone is C16H27N3O.
What is the molecular weight of 2,6-Bis(tert-butylamino)-4-methylpyridin-3-yl methyl ketone?
The molecular weight of 2,6-Bis(tert-butylamino)-4-methylpyridin-3-yl methyl ketone is 277.22 g/mol.
Where can I buy 2,6-Bis(tert-butylamino)-4-methylpyridin-3-yl methyl ketone?
You can request a quote for 2,6-Bis(tert-butylamino)-4-methylpyridin-3-yl methyl ketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Bis(tert-butylamino)-4-methylpyridin-3-yl methyl ketone?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Bis(tert-butylamino)-4-methylpyridin-3-yl methyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.