禾草灵
TL;DR: 禾草灵 (CAS 51338-27-3) is a chemical compound with molecular formula C16H14Cl2O4 and molecular weight 340.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
禾草灵
methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate
Also Known As: DICLOFOP-METHYL, Diclofop methyl, Illoxan, Hoegrass, Hoelon
| Molecular Formula | C16H14Cl2O4 |
|---|---|
| Molecular Weight | 340.03 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 340.02692 |
| Heavy Atoms | 22 |
| Complexity | 358.0 |
| Melting Point | 39-41 °C |
| Boiling Point | 175-177 °C at 0.1 mm Hg |
| Solubility | In water at 22 °C, 3 mg/l. Readily soluble in common organic solvents, eg, acetone 2490, diethyl ether 2280, xylene 2530, ethanol 110, light petroleum (BP 60-95 °C) 60 (all in g/l at 20 °C). |
| Flash Point | 38 °C (Closed cup) |
| Vapor Pressure | 0.0000035 [mmHg] |
Chemical Identifiers
| CAS Number | 51338-27-3 |
|---|---|
| SMILES | CC(C(=O)OC)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)Cl |
| InChIKey | BACHBFVBHLGWSL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
禾草灵 (CAS 51338-27-3), with molecular formula C16H14Cl2O4 and molecular weight 340.03 g/mol. IUPAC: methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate.
Chemical Property Profile of 禾草灵
Property Insights of 禾草灵
The XLogP value of 4.8 indicates that 禾草灵 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, 禾草灵 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 禾草灵 has 0 hydrogen bond donor(s) and 4 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 禾草灵?
The CAS number of 禾草灵 is 51338-27-3.
What is the molecular formula of 禾草灵?
The molecular formula of 禾草灵 is C16H14Cl2O4.
What is the molecular weight of 禾草灵?
The molecular weight of 禾草灵 is 340.03 g/mol.
Where can I buy 禾草灵?
You can request a quote for 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 禾草灵?
Yes, KEHONG BIO provides custom synthesis services for 禾草灵 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.