氟磺胺草醚
TL;DR: 氟磺胺草醚 (CAS 72178-02-0) is a chemical compound with molecular formula C15H10ClF3N2O6S and molecular weight 437.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氟磺胺草醚
5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-methylsulfonyl-2-nitrobenzamide
Also Known As: Fomesafen, Fomesafene, Reflex, Formesafen, Fomasafen
| Molecular Formula | C15H10ClF3N2O6S |
|---|---|
| Molecular Weight | 437.99 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 437.99002 |
| Heavy Atoms | 28 |
| Complexity | 693.0 |
| Melting Point | 220 °C |
| Boiling Point | Clear, pale, yellow odorless liquid; BP: 100.6 °C. Incompatible with acids. Soluble in range of organic solvents /Reflex/ |
| Density | 1.28 g/cu cm at 20 °C |
| Solubility | Solubility at 25 °C (mg/mL): propylene glycol 631; octanol 12; ethyl decanoate 10 /Fomesafen sodium salt/ |
| Vapor Pressure | 0.00000075 [mmHg] |
Chemical Identifiers
| CAS Number | 72178-02-0 |
|---|---|
| SMILES | CS(=O)(=O)NC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-] |
| InChIKey | BGZZWXTVIYUUEY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氟磺胺草醚 (CAS 72178-02-0), with molecular formula C15H10ClF3N2O6S and molecular weight 437.99 g/mol. IUPAC: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-methylsulfonyl-2-nitrobenzamide.
Chemical Property Profile of 氟磺胺草醚
Property Insights of 氟磺胺草醚
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 氟磺胺草醚. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 氟磺胺草醚. Following Lipinski's Rule of Five, 氟磺胺草醚 has 1 hydrogen bond donor(s) and 9 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 氟磺胺草醚?
The CAS number of 氟磺胺草醚 is 72178-02-0.
What is the molecular formula of 氟磺胺草醚?
The molecular formula of 氟磺胺草醚 is C15H10ClF3N2O6S.
What is the molecular weight of 氟磺胺草醚?
The molecular weight of 氟磺胺草醚 is 437.99 g/mol.
Where can I buy 氟磺胺草醚?
You can request a quote for 氟磺胺草醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氟磺胺草醚?
Yes, KEHONG BIO provides custom synthesis services for 氟磺胺草醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.