Isodiazinon
TL;DR: Isodiazinon (CAS 87076-01-5) is a chemical compound with molecular formula C12H21N2O3PS and molecular weight 304.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-diethoxyphosphorylsulfanyl-6-methyl-2-propan-2-ylpyrimidine
Also Known As: Isodiazinon, 2-Isopropyl-6-methyl-4-S-pyrimidinyl diethylthiophosphate, 4-diethoxyphosphorylsulfanyl-6-methyl-2-propan-2-ylpyrimidine, Diethyl 2-isopropyl-4-methyl-6-pyrimidinyl phosphorothionate, O,O-diethyl S-(2-isopropyl-6-meth-ylpyrimidin-4-yl) thiophosphate
| Molecular Formula | C12H21N2O3PS |
|---|---|
| Molecular Weight | 304.10 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 86.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 304.10104 |
| Heavy Atoms | 19 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 87076-01-5 |
|---|---|
| SMILES | CCOP(=O)(OCC)SC1=NC(=NC(=C1)C)C(C)C |
| InChIKey | ICWWVIBLRJDIGR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isodiazinon (CAS 87076-01-5), with molecular formula C12H21N2O3PS and molecular weight 304.10 g/mol. IUPAC: 4-diethoxyphosphorylsulfanyl-6-methyl-2-propan-2-ylpyrimidine.
Chemical Property Profile of Isodiazinon
Property Insights of Isodiazinon
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isodiazinon. The TPSA of 86.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Isodiazinon. Following Lipinski's Rule of Five, Isodiazinon 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 Isodiazinon?
The CAS number of Isodiazinon is 87076-01-5.
What is the molecular formula of Isodiazinon?
The molecular formula of Isodiazinon is C12H21N2O3PS.
What is the molecular weight of Isodiazinon?
The molecular weight of Isodiazinon is 304.10 g/mol.
Where can I buy Isodiazinon?
You can request a quote for Isodiazinon directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isodiazinon?
Yes, KEHONG BIO provides custom synthesis services for Isodiazinon and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.