2-(Dimethylphosphoryl)benzoic acid
TL;DR: 2-(Dimethylphosphoryl)benzoic acid (CAS 79317-57-0) 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.
2-dimethylphosphorylbenzoic acid
Also Known As: 2-(Dimethylphosphoryl)benzoic acid, 2-dimethylphosphorylbenzoic acid, o-dimethylphosphorylbenzoic acid, 2-(Dimethylphosphoryl)benzoicacid, 2-(Dimethyl-phosphinoyl)-benzoic acid
| Molecular Formula | C9H11O3P |
|---|---|
| Molecular Weight | 198.04 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.04459 |
| Heavy Atoms | 13 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 79317-57-0 |
|---|---|
| SMILES | CP(=O)(C)C1=CC=CC=C1C(=O)O |
| InChIKey | ZVUKMPRMHHHNQW-UHFFFAOYSA-N |
Product Overview
2-(Dimethylphosphoryl)benzoic acid (CAS 79317-57-0), with molecular formula C9H11O3P and molecular weight 198.04 g/mol. IUPAC: 2-dimethylphosphorylbenzoic acid.
Chemical Property Profile of 2-(Dimethylphosphoryl)benzoic acid
Property Insights of 2-(Dimethylphosphoryl)benzoic acid
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Dimethylphosphoryl)benzoic acid. With a topological polar surface area (TPSA) of 54.4 Ų, 2-(Dimethylphosphoryl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Dimethylphosphoryl)benzoic acid has 1 hydrogen bond donor(s) and 3 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 2-(Dimethylphosphoryl)benzoic acid?
The CAS number of 2-(Dimethylphosphoryl)benzoic acid is 79317-57-0.
What is the molecular formula of 2-(Dimethylphosphoryl)benzoic acid?
The molecular formula of 2-(Dimethylphosphoryl)benzoic acid is C9H11O3P.
What is the molecular weight of 2-(Dimethylphosphoryl)benzoic acid?
The molecular weight of 2-(Dimethylphosphoryl)benzoic acid is 198.04 g/mol.
Where can I buy 2-(Dimethylphosphoryl)benzoic acid?
You can request a quote for 2-(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 2-(Dimethylphosphoryl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Dimethylphosphoryl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.