Bayer 50512
TL;DR: Bayer 50512 (CAS 82679-91-2) is a chemical compound with molecular formula C16H19O3PS2 and molecular weight 354.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethoxy-(3-methyl-4-methylsulfinylphenoxy)-phenyl-sulfanylidene-λ5-phosphane
Also Known As: Bayer 50512, BAY 50512, Phenylphosphonothioic acid O-ethyl O-(3-methyl-4-(methylsulfinyl)phenyl) ester, Phosphonothioic acid, phenyl-, O-ethyl O-(3-methyl-4-(methylsulfinyl)phenyl) ester, ethoxy-(3-methyl-4-methylsulfinylphenoxy)-phenyl-sulfanylidene-
| Molecular Formula | C16H19O3PS2 |
|---|---|
| Molecular Weight | 354.05 g/mol |
| LogP | 3.78272 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 354.05133 |
| Heavy Atoms | 22 |
| Complexity | 716.5858 |
Chemical Identifiers
| CAS Number | 82679-91-2 |
|---|---|
| SMILES | CCOP(=S)(C1=CC=CC=C1)OC2=CC(=C(C=C2)S(=O)C)C |
Product Overview
Bayer 50512 (CAS 82679-91-2), with molecular formula C16H19O3PS2 and molecular weight 354.05 g/mol. IUPAC: ethoxy-(3-methyl-4-methylsulfinylphenoxy)-phenyl-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Bayer 50512
Property Insights of Bayer 50512
The XLogP value of 3.78272 indicates that Bayer 50512 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, Bayer 50512 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bayer 50512 has 0 hydrogen bond donor(s) and 4 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 50512?
The CAS number of Bayer 50512 is 82679-91-2.
What is the molecular formula of Bayer 50512?
The molecular formula of Bayer 50512 is C16H19O3PS2.
What is the molecular weight of Bayer 50512?
The molecular weight of Bayer 50512 is 354.05 g/mol.
Where can I buy Bayer 50512?
You can request a quote for Bayer 50512 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bayer 50512?
Yes, KEHONG BIO provides custom synthesis services for Bayer 50512 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.