RefChem:371157
TL;DR: RefChem:371157 (CAS 51356-20-8) is a chemical compound with molecular formula C8H12ClN2O3PS2 and molecular weight 313.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-2-(dimethoxyphosphinothioylsulfanylmethyl)-5-methylpyridazin-3-one
Also Known As: Phosphorodithioic acid, O,O-dimethyl ester, S-ester with 6-chloro-2-(mercaptomethyl)-5-methyl-3(2H)-pyridazinone, 6-Chloro-2-(mercaptomethyl)-5-methyl-3(2H)-pyridazinone O,O-dimethyl phosphorodithioate, 6-chloro-2-(dimethoxyphosphinothioylsulfanylmethyl)-5-methylpyridazin-3-one, S-[(3-Chloro-4-methyl-6-oxopyridazin-1(6H)-yl)methyl] O,O-dimethyl phosphorodithioate, BRN 0670135
| Molecular Formula | C8H12ClN2O3PS2 |
|---|---|
| Molecular Weight | 313.97 g/mol |
| LogP | 2.41312 |
| Topological Polar Surface Area | 53.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.97156 |
| Heavy Atoms | 17 |
| Complexity | 500.03394 |
Chemical Identifiers
| CAS Number | 51356-20-8 |
|---|---|
| SMILES | CC1=CC(=O)N(N=C1Cl)CSP(=S)(OC)OC |
Product Overview
RefChem:371157 (CAS 51356-20-8), with molecular formula C8H12ClN2O3PS2 and molecular weight 313.97 g/mol. IUPAC: 6-chloro-2-(dimethoxyphosphinothioylsulfanylmethyl)-5-methylpyridazin-3-one.
Chemical Property Profile of RefChem:371157
Property Insights of RefChem:371157
The XLogP value of 2.41312 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:371157. With a topological polar surface area (TPSA) of 53.35 Ų, RefChem:371157 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:371157 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:371157?
The CAS number of RefChem:371157 is 51356-20-8.
What is the molecular formula of RefChem:371157?
The molecular formula of RefChem:371157 is C8H12ClN2O3PS2.
What is the molecular weight of RefChem:371157?
The molecular weight of RefChem:371157 is 313.97 g/mol.
Where can I buy RefChem:371157?
You can request a quote for RefChem:371157 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:371157?
Yes, KEHONG BIO provides custom synthesis services for RefChem:371157 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.