RefChem:1093668
TL;DR: RefChem:1093668 (CAS 76269-67-5) is a chemical compound with molecular formula C16H21N2O4PS2 and molecular weight 400.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[ethoxy(propylsulfanyl)phosphinothioyl]oxy-4-methoxy-2-phenylpyridazin-3-one
Also Known As: Phosphorodithioic acid, O-(1,6-dihydro-5-methoxy-6-oxo-1-phenyl-4-pyridazinyl) O-ethyl S-propyl ester, O-Ethyl O-(5-methoxy-6-oxo-1-phenyl-1,6-dihydropyridazin-4-yl) S-propyl phosphorodithioate, 5-[ethoxy(propylsulfanyl)phosphinothioyl]oxy-4-methoxy-2-phenylpyridazin-3-one, RefChem:1093668, BRN 4575944
| Molecular Formula | C16H21N2O4PS2 |
|---|---|
| Molecular Weight | 400.07 g/mol |
| LogP | 4.0241 |
| Topological Polar Surface Area | 62.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 400.06802 |
| Heavy Atoms | 25 |
| Complexity | 798.46686 |
Chemical Identifiers
| CAS Number | 76269-67-5 |
|---|---|
| SMILES | CCCSP(=S)(OCC)OC1=C(C(=O)N(N=C1)C2=CC=CC=C2)OC |
Product Overview
RefChem:1093668 (CAS 76269-67-5), with molecular formula C16H21N2O4PS2 and molecular weight 400.07 g/mol. IUPAC: 5-[ethoxy(propylsulfanyl)phosphinothioyl]oxy-4-methoxy-2-phenylpyridazin-3-one.
Chemical Property Profile of RefChem:1093668
Property Insights of RefChem:1093668
The XLogP value of 4.0241 indicates that RefChem:1093668 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.58 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1093668. Following Lipinski's Rule of Five, RefChem:1093668 has 0 hydrogen bond donor(s) and 7 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:1093668?
The CAS number of RefChem:1093668 is 76269-67-5.
What is the molecular formula of RefChem:1093668?
The molecular formula of RefChem:1093668 is C16H21N2O4PS2.
What is the molecular weight of RefChem:1093668?
The molecular weight of RefChem:1093668 is 400.07 g/mol.
Where can I buy RefChem:1093668?
You can request a quote for RefChem:1093668 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1093668?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1093668 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.