![methyl 7-chloro-2-oxo-2H-pyrimido[1,2-b]pyridazine-4-carboxylate structure](/static/products/888/88820-45-5.png)
methyl 7-chloro-2-oxo-2H-pyrimido[1,2-b]pyridazine-4-carboxylate
TL;DR: methyl 7-chloro-2-oxo-2H-pyrimido[1,2-b]pyridazine-4-carboxylate (CAS 88820-45-5) is a chemical compound with molecular formula C9H6ClN3O3 and molecular weight 239.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 7-chloro-2-oxopyrimido[1,2-b]pyridazine-4-carboxylate
Also Known As: methyl 7-chloro-2-oxo-2H-pyrimido[1,2-b]pyridazine-4-carboxylate, methyl 7-chloro-2-oxopyrimido[1,2-b]pyridazine-4-carboxylate, 2H-pyrimido[1,2-b]pyridazine-4-carboxylic acid, 7-chloro-2-oxo-, methyl ester, InChI=1/C9H6ClN3O3/c1-16-9(15)5-4-8(14)11-7-3-2-6(10)12-13(5)7/h2-4H,1H
| Molecular Formula | C9H6ClN3O3 |
|---|---|
| Molecular Weight | 239.01 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 71.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.00977 |
| Heavy Atoms | 16 |
| Complexity | 490.0 |
Chemical Identifiers
| CAS Number | 88820-45-5 |
|---|---|
| SMILES | COC(=O)C1=CC(=O)N=C2N1N=C(C=C2)Cl |
| InChIKey | LMBWGLASLBYYEV-UHFFFAOYSA-N |
Product Overview
methyl 7-chloro-2-oxo-2H-pyrimido[1,2-b]pyridazine-4-carboxylate (CAS 88820-45-5), with molecular formula C9H6ClN3O3 and molecular weight 239.01 g/mol. IUPAC: methyl 7-chloro-2-oxopyrimido[1,2-b]pyridazine-4-carboxylate.
Chemical Property Profile of methyl 7-chloro-2-oxo-2H-pyrimido[1,2-b]pyridazine-4-carboxylate
Property Insights of methyl 7-chloro-2-oxo-2H-pyrimido[1,2-b]pyridazine-4-carboxylate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 7-chloro-2-oxo-2H-pyrimido[1,2-b]pyridazine-4-carboxylate. The TPSA of 71.3 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 7-chloro-2-oxo-2H-pyrimido[1,2-b]pyridazine-4-carboxylate. Following Lipinski's Rule of Five, methyl 7-chloro-2-oxo-2H-pyrimido[1,2-b]pyridazine-4-carboxylate 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 methyl 7-chloro-2-oxo-2H-pyrimido[1,2-b]pyridazine-4-carboxylate?
The CAS number of methyl 7-chloro-2-oxo-2H-pyrimido[1,2-b]pyridazine-4-carboxylate is 88820-45-5.
What is the molecular formula of methyl 7-chloro-2-oxo-2H-pyrimido[1,2-b]pyridazine-4-carboxylate?
The molecular formula of methyl 7-chloro-2-oxo-2H-pyrimido[1,2-b]pyridazine-4-carboxylate is C9H6ClN3O3.
What is the molecular weight of methyl 7-chloro-2-oxo-2H-pyrimido[1,2-b]pyridazine-4-carboxylate?
The molecular weight of methyl 7-chloro-2-oxo-2H-pyrimido[1,2-b]pyridazine-4-carboxylate is 239.01 g/mol.
Where can I buy methyl 7-chloro-2-oxo-2H-pyrimido[1,2-b]pyridazine-4-carboxylate?
You can request a quote for methyl 7-chloro-2-oxo-2H-pyrimido[1,2-b]pyridazine-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 7-chloro-2-oxo-2H-pyrimido[1,2-b]pyridazine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 7-chloro-2-oxo-2H-pyrimido[1,2-b]pyridazine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.