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Fomesafen sodium structure
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Fomesafen sodium

TL;DR: Fomesafen sodium (CAS 108731-70-0) is a chemical compound with molecular formula C15H9ClF3N2NaO6S and molecular weight 459.97195 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

sodium 5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-methylsulfonyl-2-nitrobenzenecarboximidate

Also Known As: Fomesafen sodium, Fomesafen-sodium

CAS Number
108731-70-0
Molecular Formula
C15H9ClF3N2NaO6S
Molecular Weight
459.97195 g/mol
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Application Areas

Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.

Agrochemicals (23 patents) Catalysts (3 patents) Polymer Intermediates (4 patents) Specialty Chemicals (1 patents)

Technical Specifications

Molecular FormulaC15H9ClF3N2NaO6S
Molecular Weight459.97195 g/mol
XLogP0.13
Topological Polar Surface Area (TPSA)133.0 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors10
Rotatable Bonds4
Exact Mass459.97195 Da
Heavy Atoms29
Complexity706.0
SMILESCS(=O)(=O)N=C(C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-])[O-].[Na+]
InChIKeyCRHGSCXKJPJNAB-UHFFFAOYSA-M

Chemical Property Profile of Fomesafen sodium

XLogP
0.13
TPSA (Topological Polar Surface Area)
133.0
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
10
Rotatable Bonds
4
Heavy Atoms
29
Complexity
706.0
Exact Mass
459.97195
Monoisotopic Mass
459.97195
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of Fomesafen sodium

The XLogP value of 0.13 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Fomesafen sodium. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Fomesafen sodium. Following Lipinski's Rule of Five, Fomesafen sodium has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of Fomesafen sodium?

The CAS number of Fomesafen sodium is 108731-70-0.

What is the molecular formula of Fomesafen sodium?

The molecular formula of Fomesafen sodium is C15H9ClF3N2NaO6S.

What is the molecular weight of Fomesafen sodium?

The molecular weight of Fomesafen sodium is 459.97195 g/mol.

Where can I buy Fomesafen sodium?

You can request a quote for Fomesafen sodium directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for Fomesafen sodium?

Yes, CoreyChem provides custom synthesis services for Fomesafen sodium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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