RefChem:371093
TL;DR: RefChem:371093 (CAS 51356-06-0) is a chemical compound with molecular formula C9H15N2O3PS2 and molecular weight 294.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethoxyphosphinothioylsulfanylmethyl)pyridazin-3-one
Also Known As: Phosphorodithioic acid, O,O-diethyl ester, S-ester with 2-(mercaptomethyl)-3(2H)-pyridazinone, 2-(Mercaptomethyl)-3(2H)-pyridazinone O,O-diethyl phosphorodithioate, 2-(diethoxyphosphinothioylsulfanylmethyl)pyridazin-3-one, O,O-Diethyl S-[(6-oxopyridazin-1(6H)-yl)methyl] phosphorodithioate, BRN 0661749
| Molecular Formula | C9H15N2O3PS2 |
|---|---|
| Molecular Weight | 294.03 g/mol |
| LogP | 2.2315 |
| Topological Polar Surface Area | 53.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 294.02618 |
| Heavy Atoms | 17 |
| Complexity | 441.86716 |
Chemical Identifiers
| CAS Number | 51356-06-0 |
|---|---|
| SMILES | CCOP(=S)(OCC)SCN1C(=O)C=CC=N1 |
Product Overview
RefChem:371093 (CAS 51356-06-0), with molecular formula C9H15N2O3PS2 and molecular weight 294.03 g/mol. IUPAC: 2-(diethoxyphosphinothioylsulfanylmethyl)pyridazin-3-one.
Chemical Property Profile of RefChem:371093
Property Insights of RefChem:371093
The XLogP value of 2.2315 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:371093. With a topological polar surface area (TPSA) of 53.35 Ų, RefChem:371093 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:371093 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:371093?
The CAS number of RefChem:371093 is 51356-06-0.
What is the molecular formula of RefChem:371093?
The molecular formula of RefChem:371093 is C9H15N2O3PS2.
What is the molecular weight of RefChem:371093?
The molecular weight of RefChem:371093 is 294.03 g/mol.
Where can I buy RefChem:371093?
You can request a quote for RefChem:371093 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:371093?
Yes, KEHONG BIO provides custom synthesis services for RefChem:371093 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.