Butanoic acid, 3-((6-chloro-3-pyridazinyl)hydrazono)-, 1,1-dimethylethyl ester
TL;DR: Butanoic acid, 3-((6-chloro-3-pyridazinyl)hydrazono)-, 1,1-dimethylethyl ester (CAS 69578-92-3) is a chemical compound with molecular formula C12H17ClN4O2 and molecular weight 284.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl (3E)-3-[(6-chloropyridazin-3-yl)hydrazinylidene]butanoate
Also Known As: 5-25-17-00363 (Beilstein Handbook Reference), 1,1-Dimethylethyl 3-((6-chloro-3-pyridazinyl)hydrazono)butanoate, Butanoic acid, 3-((6-chloro-3-pyridazinyl)hydrazono)-, 1,1-dimethylethyl ester, RefChem:1080324, BRN 0921323
| Molecular Formula | C12H17ClN4O2 |
|---|---|
| Molecular Weight | 284.10 g/mol |
| LogP | 2.6496 |
| Topological Polar Surface Area | 76.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 284.104 |
| Heavy Atoms | 19 |
| Complexity | 465.61288 |
Chemical Identifiers
| CAS Number | 69578-92-3 |
|---|---|
| SMILES | C/C(=N\NC1=NN=C(C=C1)Cl)/CC(=O)OC(C)(C)C |
Product Overview
Butanoic acid, 3-((6-chloro-3-pyridazinyl)hydrazono)-, 1,1-dimethylethyl ester (CAS 69578-92-3), with molecular formula C12H17ClN4O2 and molecular weight 284.10 g/mol. IUPAC: tert-butyl (3E)-3-[(6-chloropyridazin-3-yl)hydrazinylidene]butanoate.
Chemical Property Profile of Butanoic acid, 3-((6-chloro-3-pyridazinyl)hydrazono)-, 1,1-dimethylethyl ester
Property Insights of Butanoic acid, 3-((6-chloro-3-pyridazinyl)hydrazono)-, 1,1-dimethylethyl ester
The XLogP value of 2.6496 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanoic acid, 3-((6-chloro-3-pyridazinyl)hydrazono)-, 1,1-dimethylethyl ester. The TPSA of 76.47 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanoic acid, 3-((6-chloro-3-pyridazinyl)hydrazono)-, 1,1-dimethylethyl ester. Following Lipinski's Rule of Five, Butanoic acid, 3-((6-chloro-3-pyridazinyl)hydrazono)-, 1,1-dimethylethyl ester has 1 hydrogen bond donor(s) and 6 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 Butanoic acid, 3-((6-chloro-3-pyridazinyl)hydrazono)-, 1,1-dimethylethyl ester?
The CAS number of Butanoic acid, 3-((6-chloro-3-pyridazinyl)hydrazono)-, 1,1-dimethylethyl ester is 69578-92-3.
What is the molecular formula of Butanoic acid, 3-((6-chloro-3-pyridazinyl)hydrazono)-, 1,1-dimethylethyl ester?
The molecular formula of Butanoic acid, 3-((6-chloro-3-pyridazinyl)hydrazono)-, 1,1-dimethylethyl ester is C12H17ClN4O2.
What is the molecular weight of Butanoic acid, 3-((6-chloro-3-pyridazinyl)hydrazono)-, 1,1-dimethylethyl ester?
The molecular weight of Butanoic acid, 3-((6-chloro-3-pyridazinyl)hydrazono)-, 1,1-dimethylethyl ester is 284.10 g/mol.
Where can I buy Butanoic acid, 3-((6-chloro-3-pyridazinyl)hydrazono)-, 1,1-dimethylethyl ester?
You can request a quote for Butanoic acid, 3-((6-chloro-3-pyridazinyl)hydrazono)-, 1,1-dimethylethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 3-((6-chloro-3-pyridazinyl)hydrazono)-, 1,1-dimethylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 3-((6-chloro-3-pyridazinyl)hydrazono)-, 1,1-dimethylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.