3-(Chloromethyl)-6-methylpyridazin-4(1H)-one
TL;DR: 3-(Chloromethyl)-6-methylpyridazin-4(1H)-one (CAS 17417-54-8) is a chemical compound with molecular formula C6H7ClN2O and molecular weight 158.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(chloromethyl)-6-methyl-1H-pyridazin-4-one
Also Known As: 3-(Chloromethyl)-6-methylpyridazin-4(1H)-one, 3-(chloromethyl)-6-methyl-1H-pyridazin-4-one, 4(1H)-Pyridazinone, 3-(chloromethyl)-6-methyl-
| Molecular Formula | C6H7ClN2O |
|---|---|
| Molecular Weight | 158.02 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 41.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 158.02469 |
| Heavy Atoms | 10 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 17417-54-8 |
|---|---|
| SMILES | CC1=CC(=O)C(=NN1)CCl |
| InChIKey | IEKQRXFBDAXUKC-UHFFFAOYSA-N |
Product Overview
3-(Chloromethyl)-6-methylpyridazin-4(1H)-one (CAS 17417-54-8), with molecular formula C6H7ClN2O and molecular weight 158.02 g/mol. IUPAC: 3-(chloromethyl)-6-methyl-1H-pyridazin-4-one.
Chemical Property Profile of 3-(Chloromethyl)-6-methylpyridazin-4(1H)-one
Property Insights of 3-(Chloromethyl)-6-methylpyridazin-4(1H)-one
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Chloromethyl)-6-methylpyridazin-4(1H)-one. With a topological polar surface area (TPSA) of 41.5 Ų, 3-(Chloromethyl)-6-methylpyridazin-4(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Chloromethyl)-6-methylpyridazin-4(1H)-one has 1 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 3-(Chloromethyl)-6-methylpyridazin-4(1H)-one?
The CAS number of 3-(Chloromethyl)-6-methylpyridazin-4(1H)-one is 17417-54-8.
What is the molecular formula of 3-(Chloromethyl)-6-methylpyridazin-4(1H)-one?
The molecular formula of 3-(Chloromethyl)-6-methylpyridazin-4(1H)-one is C6H7ClN2O.
What is the molecular weight of 3-(Chloromethyl)-6-methylpyridazin-4(1H)-one?
The molecular weight of 3-(Chloromethyl)-6-methylpyridazin-4(1H)-one is 158.02 g/mol.
Where can I buy 3-(Chloromethyl)-6-methylpyridazin-4(1H)-one?
You can request a quote for 3-(Chloromethyl)-6-methylpyridazin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Chloromethyl)-6-methylpyridazin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(Chloromethyl)-6-methylpyridazin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.