(5-Chloro-1-methyl-6-oxo-1,6-dihydro-pyridazin-4-ylsulfanyl)-acetic acid
TL;DR: (5-Chloro-1-methyl-6-oxo-1,6-dihydro-pyridazin-4-ylsulfanyl)-acetic acid (CAS 876715-31-0) is a chemical compound with molecular formula C7H7ClN2O3S and molecular weight 233.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-chloro-1-methyl-6-oxopyridazin-4-yl)sulfanylacetic acid
Also Known As: (5-Chloro-1-methyl-6-oxo-1,6-dihydro-pyridazin-4-ylsulfanyl)-acetic acid, BAS 10142769, 2-(5-chloro-1-methyl-6-oxopyridazin-4-yl)sulfanylacetic acid, [(5-chloro-1-methyl-6-oxopyridazin-4-yl)sulfanyl]acetic acid, BRD-K86325115-001-01-3
| Molecular Formula | C7H7ClN2O3S |
|---|---|
| Molecular Weight | 233.99 g/mol |
| LogP | 0.6104 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.98659 |
| Heavy Atoms | 14 |
| Complexity | 417.8862 |
Chemical Identifiers
| CAS Number | 876715-31-0 |
|---|---|
| SMILES | CN1C(=O)C(=C(C=N1)SCC(=O)O)Cl |
Product Overview
(5-Chloro-1-methyl-6-oxo-1,6-dihydro-pyridazin-4-ylsulfanyl)-acetic acid (CAS 876715-31-0), with molecular formula C7H7ClN2O3S and molecular weight 233.99 g/mol. IUPAC: 2-(5-chloro-1-methyl-6-oxopyridazin-4-yl)sulfanylacetic acid.
Chemical Property Profile of (5-Chloro-1-methyl-6-oxo-1,6-dihydro-pyridazin-4-ylsulfanyl)-acetic acid
Property Insights of (5-Chloro-1-methyl-6-oxo-1,6-dihydro-pyridazin-4-ylsulfanyl)-acetic acid
The XLogP value of 0.6104 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-Chloro-1-methyl-6-oxo-1,6-dihydro-pyridazin-4-ylsulfanyl)-acetic acid. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-Chloro-1-methyl-6-oxo-1,6-dihydro-pyridazin-4-ylsulfanyl)-acetic acid. Following Lipinski's Rule of Five, (5-Chloro-1-methyl-6-oxo-1,6-dihydro-pyridazin-4-ylsulfanyl)-acetic acid has 1 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 (5-Chloro-1-methyl-6-oxo-1,6-dihydro-pyridazin-4-ylsulfanyl)-acetic acid?
The CAS number of (5-Chloro-1-methyl-6-oxo-1,6-dihydro-pyridazin-4-ylsulfanyl)-acetic acid is 876715-31-0.
What is the molecular formula of (5-Chloro-1-methyl-6-oxo-1,6-dihydro-pyridazin-4-ylsulfanyl)-acetic acid?
The molecular formula of (5-Chloro-1-methyl-6-oxo-1,6-dihydro-pyridazin-4-ylsulfanyl)-acetic acid is C7H7ClN2O3S.
What is the molecular weight of (5-Chloro-1-methyl-6-oxo-1,6-dihydro-pyridazin-4-ylsulfanyl)-acetic acid?
The molecular weight of (5-Chloro-1-methyl-6-oxo-1,6-dihydro-pyridazin-4-ylsulfanyl)-acetic acid is 233.99 g/mol.
Where can I buy (5-Chloro-1-methyl-6-oxo-1,6-dihydro-pyridazin-4-ylsulfanyl)-acetic acid?
You can request a quote for (5-Chloro-1-methyl-6-oxo-1,6-dihydro-pyridazin-4-ylsulfanyl)-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Chloro-1-methyl-6-oxo-1,6-dihydro-pyridazin-4-ylsulfanyl)-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (5-Chloro-1-methyl-6-oxo-1,6-dihydro-pyridazin-4-ylsulfanyl)-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.