乳氟禾草灵
TL;DR: 乳氟禾草灵 (CAS 77501-63-4) is a chemical compound with molecular formula C19H15ClF3NO7 and molecular weight 461.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乳氟禾草灵
(1-ethoxy-1-oxopropan-2-yl) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate
Also Known As: LACTOFEN, Cobra, Cobra herbicide, Phoenix, Lactofen [ANSI]
| Molecular Formula | C19H15ClF3NO7 |
|---|---|
| Molecular Weight | 461.05 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 461.04892 |
| Heavy Atoms | 31 |
| Complexity | 657.0 |
| Melting Point | 44-46 °C |
| Density | 1.391 at 25 °C |
| Solubility | Solubility in isopropanol = 20%; soluble in acetone and xylene |
| Vapor Pressure | 0.00000007 [mmHg] |
Chemical Identifiers
| CAS Number | 77501-63-4 |
|---|---|
| SMILES | CCOC(=O)C(C)OC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-] |
| InChIKey | CONWAEURSVPLRM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乳氟禾草灵 (CAS 77501-63-4), with molecular formula C19H15ClF3NO7 and molecular weight 461.05 g/mol. IUPAC: (1-ethoxy-1-oxopropan-2-yl) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate.
Chemical Property Profile of 乳氟禾草灵
Property Insights of 乳氟禾草灵
The XLogP value of 4.1 indicates that 乳氟禾草灵 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 乳氟禾草灵. Following Lipinski's Rule of Five, 乳氟禾草灵 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 乳氟禾草灵?
The CAS number of 乳氟禾草灵 is 77501-63-4.
What is the molecular formula of 乳氟禾草灵?
The molecular formula of 乳氟禾草灵 is C19H15ClF3NO7.
What is the molecular weight of 乳氟禾草灵?
The molecular weight of 乳氟禾草灵 is 461.05 g/mol.
Where can I buy 乳氟禾草灵?
You can request a quote for 乳氟禾草灵 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乳氟禾草灵?
Yes, KEHONG BIO provides custom synthesis services for 乳氟禾草灵 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.