1-(3-Chloro-2-pyrazinyl)-2-methyl-1-propanone
TL;DR: 1-(3-Chloro-2-pyrazinyl)-2-methyl-1-propanone (CAS 98618-80-5) is a chemical compound with molecular formula C8H9ClN2O and molecular weight 184.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloropyrazin-2-yl)-2-methylpropan-1-one
Also Known As: 1-(3-Chloro-2-pyrazinyl)-2-methyl-1-propanone, 1-Propanone, 1-(3-chloro-2-pyrazinyl)-2-methyl-, 1-(3-chloropyrazin-2-yl)-2-methylpropan-1-one, 1-(3-Chloro-2-pyranzinyl)-2-methyl-1-propanone
| Molecular Formula | C8H9ClN2O |
|---|---|
| Molecular Weight | 184.04 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 42.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.04034 |
| Heavy Atoms | 12 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 98618-80-5 |
|---|---|
| SMILES | CC(C)C(=O)C1=NC=CN=C1Cl |
| InChIKey | RTRMTLYHWOHSCT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(3-Chloro-2-pyrazinyl)-2-methyl-1-propanone (CAS 98618-80-5), with molecular formula C8H9ClN2O and molecular weight 184.04 g/mol. IUPAC: 1-(3-chloropyrazin-2-yl)-2-methylpropan-1-one.
Chemical Property Profile of 1-(3-Chloro-2-pyrazinyl)-2-methyl-1-propanone
Property Insights of 1-(3-Chloro-2-pyrazinyl)-2-methyl-1-propanone
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Chloro-2-pyrazinyl)-2-methyl-1-propanone. With a topological polar surface area (TPSA) of 42.9 Ų, 1-(3-Chloro-2-pyrazinyl)-2-methyl-1-propanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Chloro-2-pyrazinyl)-2-methyl-1-propanone has 0 hydrogen bond donor(s) and 3 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-(3-Chloro-2-pyrazinyl)-2-methyl-1-propanone?
The CAS number of 1-(3-Chloro-2-pyrazinyl)-2-methyl-1-propanone is 98618-80-5.
What is the molecular formula of 1-(3-Chloro-2-pyrazinyl)-2-methyl-1-propanone?
The molecular formula of 1-(3-Chloro-2-pyrazinyl)-2-methyl-1-propanone is C8H9ClN2O.
What is the molecular weight of 1-(3-Chloro-2-pyrazinyl)-2-methyl-1-propanone?
The molecular weight of 1-(3-Chloro-2-pyrazinyl)-2-methyl-1-propanone is 184.04 g/mol.
Where can I buy 1-(3-Chloro-2-pyrazinyl)-2-methyl-1-propanone?
You can request a quote for 1-(3-Chloro-2-pyrazinyl)-2-methyl-1-propanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Chloro-2-pyrazinyl)-2-methyl-1-propanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Chloro-2-pyrazinyl)-2-methyl-1-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.