Pyridazineacetic acid, 1-, (6H), 3-chloro-6-oxo-, ethyl ester
TL;DR: Pyridazineacetic acid, 1-, (6H), 3-chloro-6-oxo-, ethyl ester (CAS 71173-10-9) is a chemical compound with molecular formula C8H9ClN2O3 and molecular weight 216.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3-chloro-6-oxopyridazin-1-yl)acetate
Also Known As: Pyridazineacetic acid, 1-, (6H), 3-chloro-6-oxo-, ethyl ester, ethyl 2-(3-chloro-6-oxopyridazin-1(6H)-yl)acetate, ethyl 2-(3-chloro-6-oxopyridazin-1-yl)acetate, Ethyl (3-chloro-6-oxopyridazin-1(6H)-yl)acetate, 1(6H)-Pyridazineacetic acid, 3-chloro-6-oxo-, ethyl ester
| Molecular Formula | C8H9ClN2O3 |
|---|---|
| Molecular Weight | 216.03 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 216.03017 |
| Heavy Atoms | 14 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 71173-10-9 |
|---|---|
| SMILES | CCOC(=O)CN1C(=O)C=CC(=N1)Cl |
| InChIKey | ASEILZLKDGIPDZ-UHFFFAOYSA-N |
Product Overview
Pyridazineacetic acid, 1-, (6H), 3-chloro-6-oxo-, ethyl ester (CAS 71173-10-9), with molecular formula C8H9ClN2O3 and molecular weight 216.03 g/mol. IUPAC: ethyl 2-(3-chloro-6-oxopyridazin-1-yl)acetate.
Chemical Property Profile of Pyridazineacetic acid, 1-, (6H), 3-chloro-6-oxo-, ethyl ester
Property Insights of Pyridazineacetic acid, 1-, (6H), 3-chloro-6-oxo-, ethyl ester
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyridazineacetic acid, 1-, (6H), 3-chloro-6-oxo-, ethyl ester. With a topological polar surface area (TPSA) of 59.0 Ų, Pyridazineacetic acid, 1-, (6H), 3-chloro-6-oxo-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyridazineacetic acid, 1-, (6H), 3-chloro-6-oxo-, ethyl ester has 0 hydrogen bond donor(s) and 4 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 Pyridazineacetic acid, 1-, (6H), 3-chloro-6-oxo-, ethyl ester?
The CAS number of Pyridazineacetic acid, 1-, (6H), 3-chloro-6-oxo-, ethyl ester is 71173-10-9.
What is the molecular formula of Pyridazineacetic acid, 1-, (6H), 3-chloro-6-oxo-, ethyl ester?
The molecular formula of Pyridazineacetic acid, 1-, (6H), 3-chloro-6-oxo-, ethyl ester is C8H9ClN2O3.
What is the molecular weight of Pyridazineacetic acid, 1-, (6H), 3-chloro-6-oxo-, ethyl ester?
The molecular weight of Pyridazineacetic acid, 1-, (6H), 3-chloro-6-oxo-, ethyl ester is 216.03 g/mol.
Where can I buy Pyridazineacetic acid, 1-, (6H), 3-chloro-6-oxo-, ethyl ester?
You can request a quote for Pyridazineacetic acid, 1-, (6H), 3-chloro-6-oxo-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridazineacetic acid, 1-, (6H), 3-chloro-6-oxo-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Pyridazineacetic acid, 1-, (6H), 3-chloro-6-oxo-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.