Butamifos
TL;DR: Butamifos (CAS 36335-67-8) is a chemical compound with molecular formula C13H21N2O4PS and molecular weight 332.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[ethoxy-(5-methyl-2-nitrophenoxy)phosphinothioyl]butan-2-amine
Also Known As: Butamifos, Metacrefos, Kremart, Butamiphos, CREMART
| Molecular Formula | C13H21N2O4PS |
|---|---|
| Molecular Weight | 332.10 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 332.09598 |
| Heavy Atoms | 21 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 36335-67-8 |
|---|---|
| SMILES | CCC(C)NP(=S)(OCC)OC1=C(C=CC(=C1)C)[N+](=O)[O-] |
| InChIKey | OEYOMNZEMCPTKN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butamifos (CAS 36335-67-8), with molecular formula C13H21N2O4PS and molecular weight 332.10 g/mol. IUPAC: N-[ethoxy-(5-methyl-2-nitrophenoxy)phosphinothioyl]butan-2-amine.
Chemical Property Profile of Butamifos
Property Insights of Butamifos
The XLogP value of 4.7 indicates that Butamifos 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 Butamifos. Following Lipinski's Rule of Five, Butamifos has 1 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 Butamifos?
The CAS number of Butamifos is 36335-67-8.
What is the molecular formula of Butamifos?
The molecular formula of Butamifos is C13H21N2O4PS.
What is the molecular weight of Butamifos?
The molecular weight of Butamifos is 332.10 g/mol.
Where can I buy Butamifos?
You can request a quote for Butamifos directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butamifos?
Yes, KEHONG BIO provides custom synthesis services for Butamifos and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.