Butonate
TL;DR: Butonate (CAS 126-22-7) is a chemical compound with molecular formula C8H14Cl3O5P and molecular weight 325.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2,2-trichloro-1-dimethoxyphosphorylethyl) butanoate
Also Known As: BUTONATE, Tribufon, Butilchlorofos, Butonato, Pedix-butonate
| Molecular Formula | C8H14Cl3O5P |
|---|---|
| Molecular Weight | 325.96 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 325.96445 |
| Heavy Atoms | 17 |
| Complexity | 296.0 |
| Boiling Point | 129 °C at 0.5 mm HG |
| Density | 1.3742 |
| Solubility | Miscible with most organic solvents |
| Vapor Pressure | 0.000112 [mmHg] |
| Refractive Index | = 1.4707 |
Chemical Identifiers
| CAS Number | 126-22-7 |
|---|---|
| SMILES | CCCC(=O)OC(C(Cl)(Cl)Cl)P(=O)(OC)OC |
| InChIKey | BKAQXYNWONVOAX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butonate (CAS 126-22-7), with molecular formula C8H14Cl3O5P and molecular weight 325.96 g/mol. IUPAC: (2,2,2-trichloro-1-dimethoxyphosphorylethyl) butanoate.
Chemical Property Profile of Butonate
Property Insights of Butonate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butonate. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Butonate. Following Lipinski's Rule of Five, Butonate has 0 hydrogen bond donor(s) and 5 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 Butonate?
The CAS number of Butonate is 126-22-7.
What is the molecular formula of Butonate?
The molecular formula of Butonate is C8H14Cl3O5P.
What is the molecular weight of Butonate?
The molecular weight of Butonate is 325.96 g/mol.
Where can I buy Butonate?
You can request a quote for Butonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butonate?
Yes, KEHONG BIO provides custom synthesis services for Butonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.