Fomesafen sodium
TL;DR: Fomesafen sodium (CAS 108731-70-0) is a chemical compound with molecular formula C15H9ClF3N2NaO6S and molecular weight 459.97 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]-N-methylsulfonyl-2-nitrobenzenecarboximidate
Also Known As: Fomesafen sodium, Fomesafen-sodium
| Molecular Formula | C15H9ClF3N2NaO6S |
|---|---|
| Molecular Weight | 459.97 g/mol |
| LogP | 0.13 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 459.97195 |
| Heavy Atoms | 29 |
| Complexity | 706.0 |
Chemical Identifiers
| CAS Number | 108731-70-0 |
|---|---|
| SMILES | CS(=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+] |
| InChIKey | CRHGSCXKJPJNAB-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Fomesafen sodium (CAS 108731-70-0), with molecular formula C15H9ClF3N2NaO6S and molecular weight 459.97 g/mol. IUPAC: sodium 5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-methylsulfonyl-2-nitrobenzenecarboximidate.
Chemical Property Profile of Fomesafen sodium
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
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 459.97 g/mol.
Where can I buy Fomesafen sodium?
You can request a quote for Fomesafen sodium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Fomesafen sodium?
Yes, KEHONG BIO provides custom synthesis services for Fomesafen sodium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.