AI 3-22821
TL;DR: AI 3-22821 (CAS 42965-68-4) is a chemical compound with molecular formula C10H17N2O3PS and molecular weight 276.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidene-λ5-phosphane
Also Known As: methyl diazinon, AI3-22821, AI 3-22821, 4-23-00-02488 (Beilstein Handbook Reference), Phosphorothioic acid, O,O-dimethyl O-(2-isopropyl-6-methyl-4-pyrimidinyl) ester
| Molecular Formula | C10H17N2O3PS |
|---|---|
| Molecular Weight | 276.07 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 85.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 276.06976 |
| Heavy Atoms | 17 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 42965-68-4 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)C(C)C)OP(=S)(OC)OC |
| InChIKey | BWLAZVMXYIXHCL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
AI 3-22821 (CAS 42965-68-4), with molecular formula C10H17N2O3PS and molecular weight 276.07 g/mol. IUPAC: dimethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of AI 3-22821
Property Insights of AI 3-22821
The XLogP value of 3.1 indicates that AI 3-22821 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.6 Ų falls within the moderate polarity range, balancing permeability and solubility for AI 3-22821. Following Lipinski's Rule of Five, AI 3-22821 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 AI 3-22821?
The CAS number of AI 3-22821 is 42965-68-4.
What is the molecular formula of AI 3-22821?
The molecular formula of AI 3-22821 is C10H17N2O3PS.
What is the molecular weight of AI 3-22821?
The molecular weight of AI 3-22821 is 276.07 g/mol.
Where can I buy AI 3-22821?
You can request a quote for AI 3-22821 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AI 3-22821?
Yes, KEHONG BIO provides custom synthesis services for AI 3-22821 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.