Butathiofos
TL;DR: Butathiofos (CAS 90338-20-8) is a chemical compound with molecular formula C12H21N2O3PS and molecular weight 304.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-tert-butylpyrimidin-5-yl)oxy-diethoxy-sulfanylidene-λ5-phosphane
Also Known As: Butathiofos, Butathiofos [ISO], BUTAFOS, BUTATHIOPHOS, Benzoic acid, p-(3-methyl-3-nitrosoureido)-
| Molecular Formula | C12H21N2O3PS |
|---|---|
| Molecular Weight | 304.10 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 85.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 304.10104 |
| Heavy Atoms | 19 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 90338-20-8 |
|---|---|
| SMILES | CCOP(=S)(OCC)OC1=CN=C(N=C1)C(C)(C)C |
| InChIKey | YMTQHWMPGDSBOD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butathiofos (CAS 90338-20-8), with molecular formula C12H21N2O3PS and molecular weight 304.10 g/mol. IUPAC: (2-tert-butylpyrimidin-5-yl)oxy-diethoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Butathiofos
Property Insights of Butathiofos
The XLogP value of 3.8 indicates that Butathiofos is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Butathiofos. Following Lipinski's Rule of Five, Butathiofos 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 Butathiofos?
The CAS number of Butathiofos is 90338-20-8.
What is the molecular formula of Butathiofos?
The molecular formula of Butathiofos is C12H21N2O3PS.
What is the molecular weight of Butathiofos?
The molecular weight of Butathiofos is 304.10 g/mol.
Where can I buy Butathiofos?
You can request a quote for Butathiofos directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butathiofos?
Yes, KEHONG BIO provides custom synthesis services for Butathiofos and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.