Phosphorothioic acid, O,O-bis(1-methylethyl) O-(6-butoxy-3-pyridazinyl) ester
TL;DR: Phosphorothioic acid, O,O-bis(1-methylethyl) O-(6-butoxy-3-pyridazinyl) ester (CAS 53605-07-5) is a chemical compound with molecular formula C14H25N2O4PS and molecular weight 348.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-butoxypyridazin-3-yl)oxy-di(propan-2-yloxy)-sulfanylidene-λ5-phosphane
Also Known As: Phosphorothioic acid, O,O-bis(1-methylethyl) O-(6-butoxy-3-pyridazinyl) ester, O,O-Bis(1-methylethyl) O-(6-butoxy-3-pyridazinyl) phosphorothioate, (6-butoxypyridazin-3-yl)oxy-di(propan-2-yloxy)-sulfanylidene-, O-(6-Butoxypyridazin-3-yl) O,O-di(propan-2-yl) phosphorothioate, BRN 0825897
| Molecular Formula | C14H25N2O4PS |
|---|---|
| Molecular Weight | 348.13 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 348.12726 |
| Heavy Atoms | 22 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 53605-07-5 |
|---|---|
| SMILES | CCCCOC1=NN=C(C=C1)OP(=S)(OC(C)C)OC(C)C |
| InChIKey | XJTNBMMDMLMENP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phosphorothioic acid, O,O-bis(1-methylethyl) O-(6-butoxy-3-pyridazinyl) ester (CAS 53605-07-5), with molecular formula C14H25N2O4PS and molecular weight 348.13 g/mol. IUPAC: (6-butoxypyridazin-3-yl)oxy-di(propan-2-yloxy)-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorothioic acid, O,O-bis(1-methylethyl) O-(6-butoxy-3-pyridazinyl) ester
Property Insights of Phosphorothioic acid, O,O-bis(1-methylethyl) O-(6-butoxy-3-pyridazinyl) ester
The XLogP value of 4.5 indicates that Phosphorothioic acid, O,O-bis(1-methylethyl) O-(6-butoxy-3-pyridazinyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, O,O-bis(1-methylethyl) O-(6-butoxy-3-pyridazinyl) ester. Following Lipinski's Rule of Five, Phosphorothioic acid, O,O-bis(1-methylethyl) O-(6-butoxy-3-pyridazinyl) ester 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 Phosphorothioic acid, O,O-bis(1-methylethyl) O-(6-butoxy-3-pyridazinyl) ester?
The CAS number of Phosphorothioic acid, O,O-bis(1-methylethyl) O-(6-butoxy-3-pyridazinyl) ester is 53605-07-5.
What is the molecular formula of Phosphorothioic acid, O,O-bis(1-methylethyl) O-(6-butoxy-3-pyridazinyl) ester?
The molecular formula of Phosphorothioic acid, O,O-bis(1-methylethyl) O-(6-butoxy-3-pyridazinyl) ester is C14H25N2O4PS.
What is the molecular weight of Phosphorothioic acid, O,O-bis(1-methylethyl) O-(6-butoxy-3-pyridazinyl) ester?
The molecular weight of Phosphorothioic acid, O,O-bis(1-methylethyl) O-(6-butoxy-3-pyridazinyl) ester is 348.13 g/mol.
Where can I buy Phosphorothioic acid, O,O-bis(1-methylethyl) O-(6-butoxy-3-pyridazinyl) ester?
You can request a quote for Phosphorothioic acid, O,O-bis(1-methylethyl) O-(6-butoxy-3-pyridazinyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphorothioic acid, O,O-bis(1-methylethyl) O-(6-butoxy-3-pyridazinyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O,O-bis(1-methylethyl) O-(6-butoxy-3-pyridazinyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.