Methyl 2-(dimethylphosphoryl)benzoate
TL;DR: Methyl 2-(dimethylphosphoryl)benzoate (CAS 79317-60-5) is a chemical compound with molecular formula C10H13O3P and molecular weight 212.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-dimethylphosphorylbenzoate
Also Known As: Methyl 2-(dimethylphosphoryl)benzoate, methyl 2-dimethylphosphorylbenzoate, BIM-0012242.P001
| Molecular Formula | C10H13O3P |
|---|---|
| Molecular Weight | 212.06 g/mol |
| LogP | 1.7212 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.06023 |
| Heavy Atoms | 14 |
| Complexity | 392.10852 |
Chemical Identifiers
| CAS Number | 79317-60-5 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1P(=O)(C)C |
Product Overview
Methyl 2-(dimethylphosphoryl)benzoate (CAS 79317-60-5), with molecular formula C10H13O3P and molecular weight 212.06 g/mol. IUPAC: methyl 2-dimethylphosphorylbenzoate.
Chemical Property Profile of Methyl 2-(dimethylphosphoryl)benzoate
Property Insights of Methyl 2-(dimethylphosphoryl)benzoate
The XLogP value of 1.7212 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(dimethylphosphoryl)benzoate. With a topological polar surface area (TPSA) of 43.37 Ų, Methyl 2-(dimethylphosphoryl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(dimethylphosphoryl)benzoate has 0 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 Methyl 2-(dimethylphosphoryl)benzoate?
The CAS number of Methyl 2-(dimethylphosphoryl)benzoate is 79317-60-5.
What is the molecular formula of Methyl 2-(dimethylphosphoryl)benzoate?
The molecular formula of Methyl 2-(dimethylphosphoryl)benzoate is C10H13O3P.
What is the molecular weight of Methyl 2-(dimethylphosphoryl)benzoate?
The molecular weight of Methyl 2-(dimethylphosphoryl)benzoate is 212.06 g/mol.
Where can I buy Methyl 2-(dimethylphosphoryl)benzoate?
You can request a quote for Methyl 2-(dimethylphosphoryl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(dimethylphosphoryl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(dimethylphosphoryl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.