2-Tert-butyl-4-chloro-5-ethoxypyridazin-3-one
TL;DR: 2-Tert-butyl-4-chloro-5-ethoxypyridazin-3-one (CAS 118827-40-0) is a chemical compound with molecular formula C10H15ClN2O2 and molecular weight 230.0822 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-tert-butyl-4-chloro-5-ethoxypyridazin-3-one
Also Known As: 2-tert-butyl-4-chloro-5-ethoxypyridazin-3-one, 2-tert-butyl-4-chloro-5-ethoxy-3(2H)-pyridazinone, 2-(tert-butyl)-4-chloro-5-ethoxypyridazin-3(2H)-one, 4-chloro-5-ethoxy-2-tert-butyl-pyridazin-3-one, AN-668/14438003
Technical Specifications
| Molecular Formula | C10H15ClN2O2 |
| Molecular Weight | 230.0822 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 41.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.0822 Da |
| Heavy Atoms | 15 |
| Complexity | 329.0 |
| SMILES | CCOC1=C(C(=O)N(N=C1)C(C)(C)C)Cl |
| InChIKey | QMRGPNHBBFGADA-UHFFFAOYSA-N |
Chemical Property Profile of 2-Tert-butyl-4-chloro-5-ethoxypyridazin-3-one
Property Insights of 2-Tert-butyl-4-chloro-5-ethoxypyridazin-3-one
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Tert-butyl-4-chloro-5-ethoxypyridazin-3-one. With a topological polar surface area (TPSA) of 41.9 Ų, 2-Tert-butyl-4-chloro-5-ethoxypyridazin-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Tert-butyl-4-chloro-5-ethoxypyridazin-3-one 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
What is the CAS number of 2-Tert-butyl-4-chloro-5-ethoxypyridazin-3-one?
The CAS number of 2-Tert-butyl-4-chloro-5-ethoxypyridazin-3-one is 118827-40-0.
What is the molecular formula of 2-Tert-butyl-4-chloro-5-ethoxypyridazin-3-one?
The molecular formula of 2-Tert-butyl-4-chloro-5-ethoxypyridazin-3-one is C10H15ClN2O2.
What is the molecular weight of 2-Tert-butyl-4-chloro-5-ethoxypyridazin-3-one?
The molecular weight of 2-Tert-butyl-4-chloro-5-ethoxypyridazin-3-one is 230.0822 g/mol.
Where can I buy 2-Tert-butyl-4-chloro-5-ethoxypyridazin-3-one?
You can request a quote for 2-Tert-butyl-4-chloro-5-ethoxypyridazin-3-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Tert-butyl-4-chloro-5-ethoxypyridazin-3-one?
Yes, CoreyChem provides custom synthesis services for 2-Tert-butyl-4-chloro-5-ethoxypyridazin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.