Phosphonic acid, (4-methylbenzoyl)-, diethyl ester
TL;DR: Phosphonic acid, (4-methylbenzoyl)-, diethyl ester (CAS 2942-54-3) is a chemical compound with molecular formula C12H17O4P and molecular weight 256.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethoxyphosphoryl-(4-methylphenyl)methanone
Also Known As: diethyl (4-methylbenzoyl)phosphonate, Diethyl 4-methylbenzoylphosphonate, diethoxyphosphoryl-(4-methylphenyl)methanone, Phosphonic acid, (4-methylbenzoyl)-, diethyl ester, 4-Methylbenzoylphosphonic acid diethyl ester
| Molecular Formula | C12H17O4P |
|---|---|
| Molecular Weight | 256.09 g/mol |
| LogP | 3.40132 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 256.08646 |
| Heavy Atoms | 17 |
| Complexity | 414.6367 |
Chemical Identifiers
| CAS Number | 2942-54-3 |
|---|---|
| SMILES | CCOP(=O)(C(=O)C1=CC=C(C=C1)C)OCC |
Product Overview
Phosphonic acid, (4-methylbenzoyl)-, diethyl ester (CAS 2942-54-3), with molecular formula C12H17O4P and molecular weight 256.09 g/mol. IUPAC: diethoxyphosphoryl-(4-methylphenyl)methanone.
Chemical Property Profile of Phosphonic acid, (4-methylbenzoyl)-, diethyl ester
Property Insights of Phosphonic acid, (4-methylbenzoyl)-, diethyl ester
The XLogP value of 3.40132 indicates that Phosphonic acid, (4-methylbenzoyl)-, diethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Phosphonic acid, (4-methylbenzoyl)-, diethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphonic acid, (4-methylbenzoyl)-, diethyl ester 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 Phosphonic acid, (4-methylbenzoyl)-, diethyl ester?
The CAS number of Phosphonic acid, (4-methylbenzoyl)-, diethyl ester is 2942-54-3.
What is the molecular formula of Phosphonic acid, (4-methylbenzoyl)-, diethyl ester?
The molecular formula of Phosphonic acid, (4-methylbenzoyl)-, diethyl ester is C12H17O4P.
What is the molecular weight of Phosphonic acid, (4-methylbenzoyl)-, diethyl ester?
The molecular weight of Phosphonic acid, (4-methylbenzoyl)-, diethyl ester is 256.09 g/mol.
Where can I buy Phosphonic acid, (4-methylbenzoyl)-, diethyl ester?
You can request a quote for Phosphonic acid, (4-methylbenzoyl)-, diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphonic acid, (4-methylbenzoyl)-, diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonic acid, (4-methylbenzoyl)-, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.