(p-Chloro-Benzoyl)-phosphonic acid dimethyl ester
TL;DR: (p-Chloro-Benzoyl)-phosphonic acid dimethyl ester (CAS 33493-32-2) is a chemical compound with molecular formula C9H10ClO4P and molecular weight 248.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl)-dimethoxyphosphorylmethanone
Also Known As: Dimethyl phosphonate, Dimethyl(4-chlorophenyloxomethyl)phosphonate, dimethyl p-chlorobenzoylphosphonate, dimethyl (4-chlorobenzoyl)phosphonate, (4-chlorophenyl)-dimethoxyphosphorylmethanone
| Molecular Formula | C9H10ClO4P |
|---|---|
| Molecular Weight | 248.00 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.00052 |
| Heavy Atoms | 15 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 33493-32-2 |
|---|---|
| SMILES | COP(=O)(C(=O)C1=CC=C(C=C1)Cl)OC |
| InChIKey | TUKCAVDKGXMEKW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(p-Chloro-Benzoyl)-phosphonic acid dimethyl ester (CAS 33493-32-2), with molecular formula C9H10ClO4P and molecular weight 248.00 g/mol. IUPAC: (4-chlorophenyl)-dimethoxyphosphorylmethanone.
Chemical Property Profile of (p-Chloro-Benzoyl)-phosphonic acid dimethyl ester
Property Insights of (p-Chloro-Benzoyl)-phosphonic acid dimethyl ester
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (p-Chloro-Benzoyl)-phosphonic acid dimethyl ester. With a topological polar surface area (TPSA) of 52.6 Ų, (p-Chloro-Benzoyl)-phosphonic acid dimethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (p-Chloro-Benzoyl)-phosphonic acid dimethyl 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 (p-Chloro-Benzoyl)-phosphonic acid dimethyl ester?
The CAS number of (p-Chloro-Benzoyl)-phosphonic acid dimethyl ester is 33493-32-2.
What is the molecular formula of (p-Chloro-Benzoyl)-phosphonic acid dimethyl ester?
The molecular formula of (p-Chloro-Benzoyl)-phosphonic acid dimethyl ester is C9H10ClO4P.
What is the molecular weight of (p-Chloro-Benzoyl)-phosphonic acid dimethyl ester?
The molecular weight of (p-Chloro-Benzoyl)-phosphonic acid dimethyl ester is 248.00 g/mol.
Where can I buy (p-Chloro-Benzoyl)-phosphonic acid dimethyl ester?
You can request a quote for (p-Chloro-Benzoyl)-phosphonic acid dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (p-Chloro-Benzoyl)-phosphonic acid dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for (p-Chloro-Benzoyl)-phosphonic acid dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.