RefChem:371156
TL;DR: RefChem:371156 (CAS 2549-15-7) is a chemical compound with molecular formula C7H10ClN2O3PS2 and molecular weight 299.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-2-(dimethoxyphosphinothioylsulfanylmethyl)pyridazin-3-one
Also Known As: Phosphorodithioic acid, O,O-dimethyl ester, S-ester with 6-chloro-2-(mercaptomethyl)-3(2H)-pyridazinone, 6-Chloro-2-(mercaptomethyl)-3(2H)-pyridazinone O,O-dimethyl phosphorodithioate, 6-chloro-2-(dimethoxyphosphinothioylsulfanylmethyl)pyridazin-3-one, s-[(3-chloro-6-oxopyridazin-1(6h)-yl)methyl] o,o-dimethyl phosphorodithioate, BRN 0664377
| Molecular Formula | C7H10ClN2O3PS2 |
|---|---|
| Molecular Weight | 299.96 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 299.9559 |
| Heavy Atoms | 16 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 2549-15-7 |
|---|---|
| SMILES | COP(=S)(OC)SCN1C(=O)C=CC(=N1)Cl |
| InChIKey | SEWJSFDJHILELY-UHFFFAOYSA-N |
Product Overview
RefChem:371156 (CAS 2549-15-7), with molecular formula C7H10ClN2O3PS2 and molecular weight 299.96 g/mol. IUPAC: 6-chloro-2-(dimethoxyphosphinothioylsulfanylmethyl)pyridazin-3-one.
Chemical Property Profile of RefChem:371156
Property Insights of RefChem:371156
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:371156. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:371156. Following Lipinski's Rule of Five, RefChem:371156 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:371156?
The CAS number of RefChem:371156 is 2549-15-7.
What is the molecular formula of RefChem:371156?
The molecular formula of RefChem:371156 is C7H10ClN2O3PS2.
What is the molecular weight of RefChem:371156?
The molecular weight of RefChem:371156 is 299.96 g/mol.
Where can I buy RefChem:371156?
You can request a quote for RefChem:371156 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:371156?
Yes, KEHONG BIO provides custom synthesis services for RefChem:371156 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.