2-(alpha-(Chloromethyl)benzyl)-6-isopropoxy-3(2H)-pyridazinone
TL;DR: 2-(alpha-(Chloromethyl)benzyl)-6-isopropoxy-3(2H)-pyridazinone (CAS 17088-59-4) is a chemical compound with molecular formula C15H17ClN2O2 and molecular weight 292.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chloro-1-phenylethyl)-6-propan-2-yloxypyridazin-3-one
Also Known As: 5-25-01-00066 (Beilstein Handbook Reference), 2-(alpha-(Chloromethyl)benzyl)-6-isopropoxy-3(2H)-pyridazinone, 3(2H)-Pyridazinone, 2-(alpha-(chloromethyl)benzyl)-6-isopropoxy-, 2-(2-chloro-1-phenylethyl)-6-propan-2-yloxypyridazin-3-one, 2-(2-Chloro-1-phenylethyl)-6-[(propan-2-yl)oxy]pyridazin-3(2H)-one
| Molecular Formula | C15H17ClN2O2 |
|---|---|
| Molecular Weight | 292.10 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 292.09787 |
| Heavy Atoms | 20 |
| Complexity | 401.0 |
Chemical Identifiers
| CAS Number | 17088-59-4 |
|---|---|
| SMILES | CC(C)OC1=NN(C(=O)C=C1)C(CCl)C2=CC=CC=C2 |
| InChIKey | GECWHKCEWHWITO-UHFFFAOYSA-N |
Product Overview
2-(alpha-(Chloromethyl)benzyl)-6-isopropoxy-3(2H)-pyridazinone (CAS 17088-59-4), with molecular formula C15H17ClN2O2 and molecular weight 292.10 g/mol. IUPAC: 2-(2-chloro-1-phenylethyl)-6-propan-2-yloxypyridazin-3-one.
Chemical Property Profile of 2-(alpha-(Chloromethyl)benzyl)-6-isopropoxy-3(2H)-pyridazinone
Property Insights of 2-(alpha-(Chloromethyl)benzyl)-6-isopropoxy-3(2H)-pyridazinone
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(alpha-(Chloromethyl)benzyl)-6-isopropoxy-3(2H)-pyridazinone. With a topological polar surface area (TPSA) of 41.9 Ų, 2-(alpha-(Chloromethyl)benzyl)-6-isopropoxy-3(2H)-pyridazinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(alpha-(Chloromethyl)benzyl)-6-isopropoxy-3(2H)-pyridazinone 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 2-(alpha-(Chloromethyl)benzyl)-6-isopropoxy-3(2H)-pyridazinone?
The CAS number of 2-(alpha-(Chloromethyl)benzyl)-6-isopropoxy-3(2H)-pyridazinone is 17088-59-4.
What is the molecular formula of 2-(alpha-(Chloromethyl)benzyl)-6-isopropoxy-3(2H)-pyridazinone?
The molecular formula of 2-(alpha-(Chloromethyl)benzyl)-6-isopropoxy-3(2H)-pyridazinone is C15H17ClN2O2.
What is the molecular weight of 2-(alpha-(Chloromethyl)benzyl)-6-isopropoxy-3(2H)-pyridazinone?
The molecular weight of 2-(alpha-(Chloromethyl)benzyl)-6-isopropoxy-3(2H)-pyridazinone is 292.10 g/mol.
Where can I buy 2-(alpha-(Chloromethyl)benzyl)-6-isopropoxy-3(2H)-pyridazinone?
You can request a quote for 2-(alpha-(Chloromethyl)benzyl)-6-isopropoxy-3(2H)-pyridazinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(alpha-(Chloromethyl)benzyl)-6-isopropoxy-3(2H)-pyridazinone?
Yes, KEHONG BIO provides custom synthesis services for 2-(alpha-(Chloromethyl)benzyl)-6-isopropoxy-3(2H)-pyridazinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.