2-Chloro-4-pyridyl isopropyl ketone
TL;DR: 2-Chloro-4-pyridyl isopropyl ketone (CAS 898785-53-0) is a chemical compound with molecular formula C9H10ClNO and molecular weight 183.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloro-4-pyridinyl)-2-methylpropan-1-one
Also Known As: 2-Chloro-4-pyridyl isopropyl ketone, 1-(2-chloropyridin-4-yl)-2-methylpropan-1-one, 2-Chloro-4-pyridylisopropylketone, 1- -2-METHYL-PROPAN-1-ONE, 3-CHLORO-4-PYRIDYL ISOPROPYL KETONE
| Molecular Formula | C9H10ClNO |
|---|---|
| Molecular Weight | 183.05 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 30.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 183.04509 |
| Heavy Atoms | 12 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 898785-53-0 |
|---|---|
| SMILES | CC(C)C(=O)C1=CC(=NC=C1)Cl |
| InChIKey | WGVKTECOAYHELX-UHFFFAOYSA-N |
Product Overview
2-Chloro-4-pyridyl isopropyl ketone (CAS 898785-53-0), with molecular formula C9H10ClNO and molecular weight 183.05 g/mol. IUPAC: 1-(2-chloro-4-pyridinyl)-2-methylpropan-1-one.
Chemical Property Profile of 2-Chloro-4-pyridyl isopropyl ketone
Property Insights of 2-Chloro-4-pyridyl isopropyl ketone
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-4-pyridyl isopropyl ketone. With a topological polar surface area (TPSA) of 30.0 Ų, 2-Chloro-4-pyridyl isopropyl ketone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-4-pyridyl isopropyl ketone 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 2-Chloro-4-pyridyl isopropyl ketone?
The CAS number of 2-Chloro-4-pyridyl isopropyl ketone is 898785-53-0.
What is the molecular formula of 2-Chloro-4-pyridyl isopropyl ketone?
The molecular formula of 2-Chloro-4-pyridyl isopropyl ketone is C9H10ClNO.
What is the molecular weight of 2-Chloro-4-pyridyl isopropyl ketone?
The molecular weight of 2-Chloro-4-pyridyl isopropyl ketone is 183.05 g/mol.
Where can I buy 2-Chloro-4-pyridyl isopropyl ketone?
You can request a quote for 2-Chloro-4-pyridyl isopropyl ketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-4-pyridyl isopropyl ketone?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-4-pyridyl isopropyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.