RefChem:371102
TL;DR: RefChem:371102 (CAS 51356-19-5) is a chemical compound with molecular formula C9H14BrN2O3PS2 and molecular weight 371.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-2-(diethoxyphosphinothioylsulfanylmethyl)pyridazin-3-one
Also Known As: Phosphorodithioic acid, O,O-diethyl ester, S-ester with 6-bromo-2-(mercaptomethyl)-3(2H)-pyridazinone, S-6-Bromo-2(mercaptomethyl)-3(2H)-pyridazinone O,O-diethyl phosphorodithioate, 6-bromo-2-(diethoxyphosphinothioylsulfanylmethyl)pyridazin-3-one, S-[(3-Bromo-6-oxopyridazin-1(6H)-yl)methyl] O,O-diethyl phosphorodithioate, RefChem:371102
| Molecular Formula | C9H14BrN2O3PS2 |
|---|---|
| Molecular Weight | 371.94 g/mol |
| LogP | 2.994 |
| Topological Polar Surface Area | 53.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 371.93668 |
| Heavy Atoms | 18 |
| Complexity | 486.94626 |
Chemical Identifiers
| CAS Number | 51356-19-5 |
|---|---|
| SMILES | CCOP(=S)(OCC)SCN1C(=O)C=CC(=N1)Br |
Product Overview
RefChem:371102 (CAS 51356-19-5), with molecular formula C9H14BrN2O3PS2 and molecular weight 371.94 g/mol. IUPAC: 6-bromo-2-(diethoxyphosphinothioylsulfanylmethyl)pyridazin-3-one.
Chemical Property Profile of RefChem:371102
Property Insights of RefChem:371102
The XLogP value of 2.994 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:371102. With a topological polar surface area (TPSA) of 53.35 Ų, RefChem:371102 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:371102 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:371102?
The CAS number of RefChem:371102 is 51356-19-5.
What is the molecular formula of RefChem:371102?
The molecular formula of RefChem:371102 is C9H14BrN2O3PS2.
What is the molecular weight of RefChem:371102?
The molecular weight of RefChem:371102 is 371.94 g/mol.
Where can I buy RefChem:371102?
You can request a quote for RefChem:371102 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:371102?
Yes, KEHONG BIO provides custom synthesis services for RefChem:371102 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.