4-(Dimethylphosphoryl)benzoic acid
TL;DR: 4-(Dimethylphosphoryl)benzoic acid (CAS 53888-91-8) is a chemical compound with molecular formula C9H11O3P and molecular weight 198.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-dimethylphosphorylbenzoic acid
Also Known As: 4-(DIMETHYLPHOSPHORYL)BENZOIC ACID, 4-dimethylphosphorylbenzoic Acid, 4-(dimethylphosphinoyl)-benzoic acid, p-dimethylphosphinylbenzoic acid, Benzoic acid, 4-(dimethylphosphinyl)-
| Molecular Formula | C9H11O3P |
|---|---|
| Molecular Weight | 198.04 g/mol |
| LogP | 1.6328 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.04459 |
| Heavy Atoms | 13 |
| Complexity | 360.95114 |
Chemical Identifiers
| CAS Number | 53888-91-8 |
|---|---|
| SMILES | CP(=O)(C)C1=CC=C(C=C1)C(=O)O |
Product Overview
4-(Dimethylphosphoryl)benzoic acid (CAS 53888-91-8), with molecular formula C9H11O3P and molecular weight 198.04 g/mol. IUPAC: 4-dimethylphosphorylbenzoic acid.
Chemical Property Profile of 4-(Dimethylphosphoryl)benzoic acid
Property Insights of 4-(Dimethylphosphoryl)benzoic acid
The XLogP value of 1.6328 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Dimethylphosphoryl)benzoic acid. With a topological polar surface area (TPSA) of 54.37 Ų, 4-(Dimethylphosphoryl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Dimethylphosphoryl)benzoic acid has 1 hydrogen bond donor(s) and 2 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 4-(Dimethylphosphoryl)benzoic acid?
The CAS number of 4-(Dimethylphosphoryl)benzoic acid is 53888-91-8.
What is the molecular formula of 4-(Dimethylphosphoryl)benzoic acid?
The molecular formula of 4-(Dimethylphosphoryl)benzoic acid is C9H11O3P.
What is the molecular weight of 4-(Dimethylphosphoryl)benzoic acid?
The molecular weight of 4-(Dimethylphosphoryl)benzoic acid is 198.04 g/mol.
Where can I buy 4-(Dimethylphosphoryl)benzoic acid?
You can request a quote for 4-(Dimethylphosphoryl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Dimethylphosphoryl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Dimethylphosphoryl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.