Flumiclorac-pentyl
TL;DR: Flumiclorac-pentyl (CAS 875462-77-4) is a chemical compound with molecular formula C21H23ClFNO5 and molecular weight 423.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentyl 2-[2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)-4-fluorophenoxy]acetate
Also Known As: Flumiclorac-pentyl, Sumiverde, Resource, Flumiclorac pentyl, Flumicloracpentyl
| Molecular Formula | C21H23ClFNO5 |
|---|---|
| Molecular Weight | 423.12 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 423.12488 |
| Heavy Atoms | 29 |
| Complexity | 654.0 |
Chemical Identifiers
| CAS Number | 875462-77-4 |
|---|---|
| SMILES | CCCCCOC(=O)COC1=C(C=C(C(=C1)N2C(=O)C3=C(C2=O)CCCC3)F)Cl |
| InChIKey | IRECWLYBCAZIJM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Flumiclorac-pentyl (CAS 875462-77-4), with molecular formula C21H23ClFNO5 and molecular weight 423.12 g/mol. IUPAC: pentyl 2-[2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)-4-fluorophenoxy]acetate.
Chemical Property Profile of Flumiclorac-pentyl
Property Insights of Flumiclorac-pentyl
The XLogP value of 4.8 indicates that Flumiclorac-pentyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Flumiclorac-pentyl. Following Lipinski's Rule of Five, Flumiclorac-pentyl 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 Flumiclorac-pentyl?
The CAS number of Flumiclorac-pentyl is 875462-77-4.
What is the molecular formula of Flumiclorac-pentyl?
The molecular formula of Flumiclorac-pentyl is C21H23ClFNO5.
What is the molecular weight of Flumiclorac-pentyl?
The molecular weight of Flumiclorac-pentyl is 423.12 g/mol.
Where can I buy Flumiclorac-pentyl?
You can request a quote for Flumiclorac-pentyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Flumiclorac-pentyl?
Yes, KEHONG BIO provides custom synthesis services for Flumiclorac-pentyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.