RefChem:371266
TL;DR: RefChem:371266 (CAS 25488-59-9) is a chemical compound with molecular formula C9H14ClN2O4PS and molecular weight 312.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-2-(diethoxyphosphorylsulfanylmethyl)pyridazin-3-one
Also Known As: s-[(3-chloro-6-oxopyridazin-1(6h)-yl)methyl] o,o-diethyl phosphorothioate, O,O-Diethyl phosphorothioate S-ester with 6-chloro-2-(mercaptomethyl)-3(2H)-pyridazinone, 6-chloro-2-(diethoxyphosphorylsulfanylmethyl)pyridazin-3-one, Phosphorothioic acid, O,O-diethyl ester, S-ester with 6-chloro-2-(mercaptomethyl)-3(2H)-pyridazinone, BRN 0671622
| Molecular Formula | C9H14ClN2O4PS |
|---|---|
| Molecular Weight | 312.01 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 93.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 312.01004 |
| Heavy Atoms | 18 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 25488-59-9 |
|---|---|
| SMILES | CCOP(=O)(OCC)SCN1C(=O)C=CC(=N1)Cl |
| InChIKey | QUWDLRYYZKFAFW-UHFFFAOYSA-N |
Product Overview
RefChem:371266 (CAS 25488-59-9), with molecular formula C9H14ClN2O4PS and molecular weight 312.01 g/mol. IUPAC: 6-chloro-2-(diethoxyphosphorylsulfanylmethyl)pyridazin-3-one.
Chemical Property Profile of RefChem:371266
Property Insights of RefChem:371266
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:371266. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:371266. Following Lipinski's Rule of Five, RefChem:371266 has 0 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 RefChem:371266?
The CAS number of RefChem:371266 is 25488-59-9.
What is the molecular formula of RefChem:371266?
The molecular formula of RefChem:371266 is C9H14ClN2O4PS.
What is the molecular weight of RefChem:371266?
The molecular weight of RefChem:371266 is 312.01 g/mol.
Where can I buy RefChem:371266?
You can request a quote for RefChem:371266 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:371266?
Yes, KEHONG BIO provides custom synthesis services for RefChem:371266 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.