Acifluorfen sodium
TL;DR: Acifluorfen sodium (CAS 62476-59-9) is a chemical compound with molecular formula C14H6ClF3NNaO5 and molecular weight 382.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate
Also Known As: Acifluorfen sodium, ACIFLUORFEN-SODIUM, Carbofluorfen, Scifluorfen, Blazer
| Molecular Formula | C14H6ClF3NNaO5 |
|---|---|
| Molecular Weight | 382.98 g/mol |
| LogP | 0.43 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 382.97842 |
| Heavy Atoms | 25 |
| Complexity | 479.0 |
| Melting Point | 124-125 °C |
| Boiling Point | >100 °C /47% WATER SOLUTION/ |
| Density | 1.26 at 23 °C /TECHNICAL 47% WATER SOLUTION/ |
| Solubility | In octanol 5.37, methanol 64.15, hexane <5X10-5 (all in g/100 mL, 25 °C) |
| Vapor Pressure | 0.00000001 [mmHg] |
Chemical Identifiers
| CAS Number | 62476-59-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)[O-].[Na+] |
| InChIKey | RVULBHWZFCBODE-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acifluorfen sodium (CAS 62476-59-9), with molecular formula C14H6ClF3NNaO5 and molecular weight 382.98 g/mol. IUPAC: sodium 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate.
Chemical Property Profile of Acifluorfen sodium
Property Insights of Acifluorfen sodium
The XLogP value of 0.43 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acifluorfen sodium. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Acifluorfen sodium. Following Lipinski's Rule of Five, Acifluorfen sodium 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 Acifluorfen sodium?
The CAS number of Acifluorfen sodium is 62476-59-9.
What is the molecular formula of Acifluorfen sodium?
The molecular formula of Acifluorfen sodium is C14H6ClF3NNaO5.
What is the molecular weight of Acifluorfen sodium?
The molecular weight of Acifluorfen sodium is 382.98 g/mol.
Where can I buy Acifluorfen sodium?
You can request a quote for Acifluorfen sodium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acifluorfen sodium?
Yes, KEHONG BIO provides custom synthesis services for Acifluorfen sodium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.