Bayer 56301
TL;DR: Bayer 56301 (CAS 1156-52-1) is a chemical compound with molecular formula C14H16FN2O2PS and molecular weight 326.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethoxy-[2-(fluoromethyl)-6-methylpyrimidin-4-yl]oxy-phenyl-sulfanylidene-λ5-phosphane
Also Known As: Bayer 56301, Phenylphosphonothioic acid O-ethyl O-(2-(fluoromethyl)-6-methyl-4-pyrimidinyl) ester, Phosphonothioic acid, phenyl-, O-ethyl O-(2-(fluoromethyl)-6-methyl-4-pyrimidinyl) ester, ethoxy-[2-(fluoromethyl)-6-methylpyrimidin-4-yl]oxy-phenyl-sulfanylidene-, O-Ethyl O-[2-(fluoromethyl)-6-methylpyrimidin-4-yl] phenylphosphonothioate
| Molecular Formula | C14H16FN2O2PS |
|---|---|
| Molecular Weight | 326.07 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 76.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 326.0654 |
| Heavy Atoms | 21 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 1156-52-1 |
|---|---|
| SMILES | CCOP(=S)(C1=CC=CC=C1)OC2=NC(=NC(=C2)C)CF |
| InChIKey | MYPVKSFKZINJCZ-UHFFFAOYSA-N |
Product Overview
Bayer 56301 (CAS 1156-52-1), with molecular formula C14H16FN2O2PS and molecular weight 326.07 g/mol. IUPAC: ethoxy-[2-(fluoromethyl)-6-methylpyrimidin-4-yl]oxy-phenyl-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Bayer 56301
Property Insights of Bayer 56301
The XLogP value of 4.1 indicates that Bayer 56301 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Bayer 56301. Following Lipinski's Rule of Five, Bayer 56301 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 Bayer 56301?
The CAS number of Bayer 56301 is 1156-52-1.
What is the molecular formula of Bayer 56301?
The molecular formula of Bayer 56301 is C14H16FN2O2PS.
What is the molecular weight of Bayer 56301?
The molecular weight of Bayer 56301 is 326.07 g/mol.
Where can I buy Bayer 56301?
You can request a quote for Bayer 56301 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bayer 56301?
Yes, KEHONG BIO provides custom synthesis services for Bayer 56301 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.