RefChem:371240
TL;DR: RefChem:371240 (CAS 31971-55-8) is a chemical compound with molecular formula C12H21N2O3PS2 and molecular weight 336.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-ethylsulfanylpyridazin-3-yl)oxy-di(propan-2-yloxy)-sulfanylidene-λ5-phosphane
Also Known As: Phosphorothioic acid, O,O-bis(1-methylethyl) O-(6-(ethylthio)-3-pyridazinyl) ester, O,O-Bis(1-methylethyl) O-(6-(ethylthio)-3-pyridazinyl) phosphorothioate, (6-ethylsulfanylpyridazin-3-yl)oxy-di(propan-2-yloxy)-sulfanylidene-, O-[6-(Ethylsulfanyl)pyridazin-3-yl] O,O-di(propan-2-yl) phosphorothioate, BRN 0891669
| Molecular Formula | C12H21N2O3PS2 |
|---|---|
| Molecular Weight | 336.07 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 336.07312 |
| Heavy Atoms | 20 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 31971-55-8 |
|---|---|
| SMILES | CCSC1=NN=C(C=C1)OP(=S)(OC(C)C)OC(C)C |
| InChIKey | OEPVWXHDPRCYRG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:371240 (CAS 31971-55-8), with molecular formula C12H21N2O3PS2 and molecular weight 336.07 g/mol. IUPAC: (6-ethylsulfanylpyridazin-3-yl)oxy-di(propan-2-yloxy)-sulfanylidene-λ5-phosphane.
Chemical Property Profile of RefChem:371240
Property Insights of RefChem:371240
The XLogP value of 4.1 indicates that RefChem:371240 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:371240. Following Lipinski's Rule of Five, RefChem:371240 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:371240?
The CAS number of RefChem:371240 is 31971-55-8.
What is the molecular formula of RefChem:371240?
The molecular formula of RefChem:371240 is C12H21N2O3PS2.
What is the molecular weight of RefChem:371240?
The molecular weight of RefChem:371240 is 336.07 g/mol.
Where can I buy RefChem:371240?
You can request a quote for RefChem:371240 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:371240?
Yes, KEHONG BIO provides custom synthesis services for RefChem:371240 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.