RefChem:371155
TL;DR: RefChem:371155 (CAS 51356-18-4) is a chemical compound with molecular formula C7H10BrN2O3PS2 and molecular weight 343.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-2-(dimethoxyphosphinothioylsulfanylmethyl)pyridazin-3-one
Also Known As: Phosphorodithioic acid, O,O-dimethyl ester, S-ester with 6-bromo-2-(mercaptomethyl)-3(2H)-pyridazinone, 6-Bromo-2-(mercaptomethyl)-3(2H)-pyridazinone O,O-dimethyl phosphorodithioate, 6-bromo-2-(dimethoxyphosphinothioylsulfanylmethyl)pyridazin-3-one, S-[(3-Bromo-6-oxopyridazin-1(6H)-yl)methyl] O,O-dimethyl phosphorodithioate, BRN 0664779
| Molecular Formula | C7H10BrN2O3PS2 |
|---|---|
| Molecular Weight | 343.91 g/mol |
| LogP | 2.2138 |
| Topological Polar Surface Area | 53.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 343.90536 |
| Heavy Atoms | 16 |
| Complexity | 459.1903 |
Chemical Identifiers
| CAS Number | 51356-18-4 |
|---|---|
| SMILES | COP(=S)(OC)SCN1C(=O)C=CC(=N1)Br |
Product Overview
RefChem:371155 (CAS 51356-18-4), with molecular formula C7H10BrN2O3PS2 and molecular weight 343.91 g/mol. IUPAC: 6-bromo-2-(dimethoxyphosphinothioylsulfanylmethyl)pyridazin-3-one.
Chemical Property Profile of RefChem:371155
Property Insights of RefChem:371155
The XLogP value of 2.2138 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:371155. With a topological polar surface area (TPSA) of 53.35 Ų, RefChem:371155 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:371155 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:371155?
The CAS number of RefChem:371155 is 51356-18-4.
What is the molecular formula of RefChem:371155?
The molecular formula of RefChem:371155 is C7H10BrN2O3PS2.
What is the molecular weight of RefChem:371155?
The molecular weight of RefChem:371155 is 343.91 g/mol.
Where can I buy RefChem:371155?
You can request a quote for RefChem:371155 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:371155?
Yes, KEHONG BIO provides custom synthesis services for RefChem:371155 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.