Bayer 47940
TL;DR: Bayer 47940 (CAS 63981-11-3) is a chemical compound with molecular formula C9H9ClNO3PS and molecular weight 276.97293 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chloro-4-dimethoxyphosphinothioyloxybenzonitrile
Also Known As: Bayer 47940, ENT 25,837, 3-chloro-4-dimethoxyphosphinothioyloxybenzonitrile, O,O-Dimethyl O-(2-chloro-4-cyanophenyl) phosphorothioate, Phosphorothioic acid, O,O-dimethyl ester, O-ester with 3-chloro-4-hydroxybenzonitrile
Technical Specifications
| Molecular Formula | C9H9ClNO3PS |
| Molecular Weight | 276.97293 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 83.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.97293 Da |
| Heavy Atoms | 16 |
| Complexity | 324.0 |
| SMILES | COP(=S)(OC)OC1=C(C=C(C=C1)C#N)Cl |
| InChIKey | IHPVQWQTPXUIGW-UHFFFAOYSA-N |
Chemical Property Profile of Bayer 47940
Property Insights of Bayer 47940
The XLogP value of 3.5 indicates that Bayer 47940 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Bayer 47940. Following Lipinski's Rule of Five, Bayer 47940 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
What is the CAS number of Bayer 47940?
The CAS number of Bayer 47940 is 63981-11-3.
What is the molecular formula of Bayer 47940?
The molecular formula of Bayer 47940 is C9H9ClNO3PS.
What is the molecular weight of Bayer 47940?
The molecular weight of Bayer 47940 is 276.97293 g/mol.
Where can I buy Bayer 47940?
You can request a quote for Bayer 47940 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bayer 47940?
Yes, CoreyChem provides custom synthesis services for Bayer 47940 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.