Dimethyl benzoylphosphonate
TL;DR: Dimethyl benzoylphosphonate (CAS 74613-06-2) is a chemical compound with molecular formula C9H11O4P and molecular weight 214.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethoxyphosphoryl(phenyl)methanone
Also Known As: Dimethyl benzoylphosphonate, dimethoxyphosphoryl(phenyl)methanone, Dimethyl(phenyloxomethyl)phosphonate, Benzoyl-phosphonic acid dimethyl ester, Dimethyl P-benzoylphosphonate
| Molecular Formula | C9H11O4P |
|---|---|
| Molecular Weight | 214.04 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 214.03949 |
| Heavy Atoms | 14 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 74613-06-2 |
|---|---|
| SMILES | COP(=O)(C(=O)C1=CC=CC=C1)OC |
| InChIKey | TWNVJLOWMINFMB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl benzoylphosphonate (CAS 74613-06-2), with molecular formula C9H11O4P and molecular weight 214.04 g/mol. IUPAC: dimethoxyphosphoryl(phenyl)methanone.
Chemical Property Profile of Dimethyl benzoylphosphonate
Property Insights of Dimethyl benzoylphosphonate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl benzoylphosphonate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl benzoylphosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl benzoylphosphonate has 0 hydrogen bond donor(s) and 4 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 Dimethyl benzoylphosphonate?
The CAS number of Dimethyl benzoylphosphonate is 74613-06-2.
What is the molecular formula of Dimethyl benzoylphosphonate?
The molecular formula of Dimethyl benzoylphosphonate is C9H11O4P.
What is the molecular weight of Dimethyl benzoylphosphonate?
The molecular weight of Dimethyl benzoylphosphonate is 214.04 g/mol.
Where can I buy Dimethyl benzoylphosphonate?
You can request a quote for Dimethyl benzoylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl benzoylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl benzoylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.