Isofenchlorfos
TL;DR: Isofenchlorfos (CAS 3309-87-3) is a chemical compound with molecular formula C8H10ClO3PS and molecular weight 251.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-4-dimethoxyphosphorylsulfanylbenzene
Also Known As: Isofenchlorfos, Fujithion, DMCP, phosphothioate, Caswell No. 207A
| Molecular Formula | C8H10ClO3PS |
|---|---|
| Molecular Weight | 251.98 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 60.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 251.97768 |
| Heavy Atoms | 14 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 3309-87-3 |
|---|---|
| SMILES | COP(=O)(OC)SC1=CC=C(C=C1)Cl |
| InChIKey | MUPYMRJBEZFVMT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isofenchlorfos (CAS 3309-87-3), with molecular formula C8H10ClO3PS and molecular weight 251.98 g/mol. IUPAC: 1-chloro-4-dimethoxyphosphorylsulfanylbenzene.
Chemical Property Profile of Isofenchlorfos
Property Insights of Isofenchlorfos
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isofenchlorfos. The TPSA of 60.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Isofenchlorfos. Following Lipinski's Rule of Five, Isofenchlorfos has 0 hydrogen bond donor(s) and 4 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 Isofenchlorfos?
The CAS number of Isofenchlorfos is 3309-87-3.
What is the molecular formula of Isofenchlorfos?
The molecular formula of Isofenchlorfos is C8H10ClO3PS.
What is the molecular weight of Isofenchlorfos?
The molecular weight of Isofenchlorfos is 251.98 g/mol.
Where can I buy Isofenchlorfos?
You can request a quote for Isofenchlorfos directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isofenchlorfos?
Yes, KEHONG BIO provides custom synthesis services for Isofenchlorfos and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.