Isomalathion
TL;DR: Isomalathion (CAS 3344-12-5) is a chemical compound with molecular formula C10H19O6PS2 and molecular weight 330.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[methoxy(methylsulfanyl)phosphoryl]sulfanylbutanedioate
Also Known As: Isomalathion, ISO-MALATHION, S-Methylmalathion, S-Methyl malathion, (1R,3R)-Isomalathion
| Molecular Formula | C10H19O6PS2 |
|---|---|
| Molecular Weight | 330.04 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 330.03607 |
| Heavy Atoms | 19 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 3344-12-5 |
|---|---|
| SMILES | CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)SC |
| InChIKey | LPQDGVLVYVULMX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isomalathion (CAS 3344-12-5), with molecular formula C10H19O6PS2 and molecular weight 330.04 g/mol. IUPAC: diethyl 2-[methoxy(methylsulfanyl)phosphoryl]sulfanylbutanedioate.
Chemical Property Profile of Isomalathion
Property Insights of Isomalathion
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isomalathion. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Isomalathion. Following Lipinski's Rule of Five, Isomalathion has 0 hydrogen bond donor(s) and 8 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 Isomalathion?
The CAS number of Isomalathion is 3344-12-5.
What is the molecular formula of Isomalathion?
The molecular formula of Isomalathion is C10H19O6PS2.
What is the molecular weight of Isomalathion?
The molecular weight of Isomalathion is 330.04 g/mol.
Where can I buy Isomalathion?
You can request a quote for Isomalathion directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isomalathion?
Yes, KEHONG BIO provides custom synthesis services for Isomalathion and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.