Phosphoric acid, diethyl 3-methyl-4-(methylsulfonyl)phenyl ester
TL;DR: Phosphoric acid, diethyl 3-methyl-4-(methylsulfonyl)phenyl ester (CAS 14143-09-0) is a chemical compound with molecular formula C12H19O6PS and molecular weight 322.064 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl (3-methyl-4-methylsulfonylphenyl) phosphate
Also Known As: Phosphoric acid, diethyl 3-methyl-4-(methylsulfonyl)phenyl ester, O,O-Diethyl O-(3-methyl-(4-methylsulfonyl))phenyl phosphate, diethyl (3-methyl-4-methylsulfonylphenyl) phosphate, Diethyl 4-(methanesulfonyl)-3-methylphenyl phosphate, BRN 2005805
Technical Specifications
| Molecular Formula | C12H19O6PS |
| Molecular Weight | 322.064 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 87.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 322.064 Da |
| Heavy Atoms | 20 |
| Complexity | 433.0 |
| SMILES | CCOP(=O)(OCC)OC1=CC(=C(C=C1)S(=O)(=O)C)C |
| InChIKey | XYHXRVYYEZNNPU-UHFFFAOYSA-N |
Chemical Property Profile of Phosphoric acid, diethyl 3-methyl-4-(methylsulfonyl)phenyl ester
Property Insights of Phosphoric acid, diethyl 3-methyl-4-(methylsulfonyl)phenyl ester
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphoric acid, diethyl 3-methyl-4-(methylsulfonyl)phenyl ester. The TPSA of 87.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphoric acid, diethyl 3-methyl-4-(methylsulfonyl)phenyl ester. Following Lipinski's Rule of Five, Phosphoric acid, diethyl 3-methyl-4-(methylsulfonyl)phenyl ester 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
What is the CAS number of Phosphoric acid, diethyl 3-methyl-4-(methylsulfonyl)phenyl ester?
The CAS number of Phosphoric acid, diethyl 3-methyl-4-(methylsulfonyl)phenyl ester is 14143-09-0.
What is the molecular formula of Phosphoric acid, diethyl 3-methyl-4-(methylsulfonyl)phenyl ester?
The molecular formula of Phosphoric acid, diethyl 3-methyl-4-(methylsulfonyl)phenyl ester is C12H19O6PS.
What is the molecular weight of Phosphoric acid, diethyl 3-methyl-4-(methylsulfonyl)phenyl ester?
The molecular weight of Phosphoric acid, diethyl 3-methyl-4-(methylsulfonyl)phenyl ester is 322.064 g/mol.
Where can I buy Phosphoric acid, diethyl 3-methyl-4-(methylsulfonyl)phenyl ester?
You can request a quote for Phosphoric acid, diethyl 3-methyl-4-(methylsulfonyl)phenyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phosphoric acid, diethyl 3-methyl-4-(methylsulfonyl)phenyl ester?
Yes, CoreyChem provides custom synthesis services for Phosphoric acid, diethyl 3-methyl-4-(methylsulfonyl)phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.