Dimethyl (4-methylbenzoyl)phosphonate
TL;DR: Dimethyl (4-methylbenzoyl)phosphonate (CAS 33493-30-0) is a chemical compound with molecular formula C10H13O4P and molecular weight 228.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethoxyphosphoryl-(4-methylphenyl)methanone
Also Known As: dimethyl (4-methylbenzoyl)phosphonate, p-MeC6H4C(O)P(O)(OMe)2, dimethoxyphosphoryl-(4-methylphenyl)methanone, 4-Methylbenzoylphosphonic acid dimethyl ester, (4-Methylbenzoyl)phosphonic acid dimethyl ester
| Molecular Formula | C10H13O4P |
|---|---|
| Molecular Weight | 228.06 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 228.05515 |
| Heavy Atoms | 15 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 33493-30-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)P(=O)(OC)OC |
| InChIKey | ADISLPDXEVFBEO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl (4-methylbenzoyl)phosphonate (CAS 33493-30-0), with molecular formula C10H13O4P and molecular weight 228.06 g/mol. IUPAC: dimethoxyphosphoryl-(4-methylphenyl)methanone.
Chemical Property Profile of Dimethyl (4-methylbenzoyl)phosphonate
Property Insights of Dimethyl (4-methylbenzoyl)phosphonate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl (4-methylbenzoyl)phosphonate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl (4-methylbenzoyl)phosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl (4-methylbenzoyl)phosphonate 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 (4-methylbenzoyl)phosphonate?
The CAS number of Dimethyl (4-methylbenzoyl)phosphonate is 33493-30-0.
What is the molecular formula of Dimethyl (4-methylbenzoyl)phosphonate?
The molecular formula of Dimethyl (4-methylbenzoyl)phosphonate is C10H13O4P.
What is the molecular weight of Dimethyl (4-methylbenzoyl)phosphonate?
The molecular weight of Dimethyl (4-methylbenzoyl)phosphonate is 228.06 g/mol.
Where can I buy Dimethyl (4-methylbenzoyl)phosphonate?
You can request a quote for Dimethyl (4-methylbenzoyl)phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl (4-methylbenzoyl)phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl (4-methylbenzoyl)phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.