RefChem:371154
TL;DR: RefChem:371154 (CAS 51442-09-2) is a chemical compound with molecular formula C7H9Cl2N2O3PS2 and molecular weight 333.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-dichloro-2-(dimethoxyphosphinothioylsulfanylmethyl)pyridazin-3-one
Also Known As: Phosphorodithioic acid, O,O-dimethyl ester, S-ester with 4,6(or 5,6)-dichloro-2-(mercaptomethyl)-3(2H)-pyridazinone, 5,6-dichloro-2-(dimethoxyphosphinothioylsulfanylmethyl)pyridazin-3-one, S-[(3,4-Dichloro-6-oxopyridazin-1(6H)-yl)methyl] O,O-dimethyl phosphorodithioate, RefChem:371154
| Molecular Formula | C7H9Cl2N2O3PS2 |
|---|---|
| Molecular Weight | 333.92 g/mol |
| LogP | 2.7581 |
| Topological Polar Surface Area | 53.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 333.91693 |
| Heavy Atoms | 17 |
| Complexity | 502.38245 |
Chemical Identifiers
| CAS Number | 51442-09-2 |
|---|---|
| SMILES | COP(=S)(OC)SCN1C(=O)C=C(C(=N1)Cl)Cl |
Product Overview
RefChem:371154 (CAS 51442-09-2), with molecular formula C7H9Cl2N2O3PS2 and molecular weight 333.92 g/mol. IUPAC: 5,6-dichloro-2-(dimethoxyphosphinothioylsulfanylmethyl)pyridazin-3-one.
Chemical Property Profile of RefChem:371154
Property Insights of RefChem:371154
The XLogP value of 2.7581 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:371154. With a topological polar surface area (TPSA) of 53.35 Ų, RefChem:371154 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:371154 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:371154?
The CAS number of RefChem:371154 is 51442-09-2.
What is the molecular formula of RefChem:371154?
The molecular formula of RefChem:371154 is C7H9Cl2N2O3PS2.
What is the molecular weight of RefChem:371154?
The molecular weight of RefChem:371154 is 333.92 g/mol.
Where can I buy RefChem:371154?
You can request a quote for RefChem:371154 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:371154?
Yes, KEHONG BIO provides custom synthesis services for RefChem:371154 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.