丁基 2-(4-(4-氰基-2-氟苯氧基)苯氧基)丙酸酯
TL;DR: 丁基 2-(4-(4-氰基-2-氟苯氧基)苯氧基)丙酸酯 (CAS 122008-82-6) is a chemical compound with molecular formula C20H20FNO4 and molecular weight 357.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丁基 2-(4-(4-氰基-2-氟苯氧基)苯氧基)丙酸酯
butyl 2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoate
Also Known As: Cyhalofop-butyl, Cyhalofop, Cyhalofop Butyl, Propanoic acid, 2-[4-(4-cyano-2-fluorophenoxy)phenoxy]-, butyl ester, Clincher; Clincher CA;XDE 537
| Molecular Formula | C20H20FNO4 |
|---|---|
| Molecular Weight | 357.14 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 68.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 357.13763 |
| Heavy Atoms | 26 |
| Complexity | 483.0 |
Chemical Identifiers
| CAS Number | 122008-82-6 |
|---|---|
| SMILES | CCCCOC(=O)C(C)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)C#N)F |
| InChIKey | TYIYMOAHACZAMQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丁基 2-(4-(4-氰基-2-氟苯氧基)苯氧基)丙酸酯 (CAS 122008-82-6), with molecular formula C20H20FNO4 and molecular weight 357.14 g/mol. IUPAC: butyl 2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoate.
Chemical Property Profile of 丁基 2-(4-(4-氰基-2-氟苯氧基)苯氧基)丙酸酯
Property Insights of 丁基 2-(4-(4-氰基-2-氟苯氧基)苯氧基)丙酸酯
The XLogP value of 4.8 indicates that 丁基 2-(4-(4-氰基-2-氟苯氧基)苯氧基)丙酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 丁基 2-(4-(4-氰基-2-氟苯氧基)苯氧基)丙酸酯. Following Lipinski's Rule of Five, 丁基 2-(4-(4-氰基-2-氟苯氧基)苯氧基)丙酸酯 has 0 hydrogen bond donor(s) and 6 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 丁基 2-(4-(4-氰基-2-氟苯氧基)苯氧基)丙酸酯?
The CAS number of 丁基 2-(4-(4-氰基-2-氟苯氧基)苯氧基)丙酸酯 is 122008-82-6.
What is the molecular formula of 丁基 2-(4-(4-氰基-2-氟苯氧基)苯氧基)丙酸酯?
The molecular formula of 丁基 2-(4-(4-氰基-2-氟苯氧基)苯氧基)丙酸酯 is C20H20FNO4.
What is the molecular weight of 丁基 2-(4-(4-氰基-2-氟苯氧基)苯氧基)丙酸酯?
The molecular weight of 丁基 2-(4-(4-氰基-2-氟苯氧基)苯氧基)丙酸酯 is 357.14 g/mol.
Where can I buy 丁基 2-(4-(4-氰基-2-氟苯氧基)苯氧基)丙酸酯?
You can request a quote for 丁基 2-(4-(4-氰基-2-氟苯氧基)苯氧基)丙酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁基 2-(4-(4-氰基-2-氟苯氧基)苯氧基)丙酸酯?
Yes, KEHONG BIO provides custom synthesis services for 丁基 2-(4-(4-氰基-2-氟苯氧基)苯氧基)丙酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.