Flumiclorac
TL;DR: Flumiclorac (CAS 87547-04-4) is a chemical compound with molecular formula C16H13ClFNO5 and molecular weight 353.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)-4-fluorophenoxy]acetic acid
Also Known As: Flumiclorac, Flumiclorac [ISO], Flumiclorac (free acid), FLUMICLORAC [MI], Flumiclorac, analytical standard
| Molecular Formula | C16H13ClFNO5 |
|---|---|
| Molecular Weight | 353.05 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 83.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 353.04663 |
| Heavy Atoms | 24 |
| Complexity | 579.0 |
Chemical Identifiers
| CAS Number | 87547-04-4 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=O)N(C2=O)C3=CC(=C(C=C3F)Cl)OCC(=O)O |
| InChIKey | GQQIAHNFBAFBCS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Flumiclorac (CAS 87547-04-4), with molecular formula C16H13ClFNO5 and molecular weight 353.05 g/mol. IUPAC: 2-[2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)-4-fluorophenoxy]acetic acid.
Chemical Property Profile of Flumiclorac
Property Insights of Flumiclorac
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Flumiclorac. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Flumiclorac. Following Lipinski's Rule of Five, Flumiclorac has 1 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 Flumiclorac?
The CAS number of Flumiclorac is 87547-04-4.
What is the molecular formula of Flumiclorac?
The molecular formula of Flumiclorac is C16H13ClFNO5.
What is the molecular weight of Flumiclorac?
The molecular weight of Flumiclorac is 353.05 g/mol.
Where can I buy Flumiclorac?
You can request a quote for Flumiclorac directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Flumiclorac?
Yes, KEHONG BIO provides custom synthesis services for Flumiclorac and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.