Dimethyl 3-(3-chlorophenoxy)-2-oxopropylphosphonate
TL;DR: Dimethyl 3-(3-chlorophenoxy)-2-oxopropylphosphonate (CAS 40665-94-9) is a chemical compound with molecular formula C11H14ClO5P and molecular weight 292.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chlorophenoxy)-3-dimethoxyphosphorylpropan-2-one
Also Known As: Dimethyl 3-(3-chlorophenoxy)-2-oxopropylphosphonate, Dimethyl (3-(3-chlorophenoxy)-2-oxopropyl)phosphonate, 5-Nitro-3-pyrazolecarboxylic acid, 1-(3-chlorophenoxy)-3-dimethoxyphosphorylpropan-2-one, Dimethyl3- -2-oxopropylphosphonate
| Molecular Formula | C11H14ClO5P |
|---|---|
| Molecular Weight | 292.03 g/mol |
| LogP | 2.7738 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 292.02673 |
| Heavy Atoms | 18 |
| Complexity | 454.5017 |
Chemical Identifiers
| CAS Number | 40665-94-9 |
|---|---|
| SMILES | COP(=O)(CC(=O)COC1=CC(=CC=C1)Cl)OC |
Product Overview
Dimethyl 3-(3-chlorophenoxy)-2-oxopropylphosphonate (CAS 40665-94-9), with molecular formula C11H14ClO5P and molecular weight 292.03 g/mol. IUPAC: 1-(3-chlorophenoxy)-3-dimethoxyphosphorylpropan-2-one.
Chemical Property Profile of Dimethyl 3-(3-chlorophenoxy)-2-oxopropylphosphonate
Property Insights of Dimethyl 3-(3-chlorophenoxy)-2-oxopropylphosphonate
The XLogP value of 2.7738 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 3-(3-chlorophenoxy)-2-oxopropylphosphonate. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 3-(3-chlorophenoxy)-2-oxopropylphosphonate. Following Lipinski's Rule of Five, Dimethyl 3-(3-chlorophenoxy)-2-oxopropylphosphonate has 0 hydrogen bond donor(s) and 5 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 3-(3-chlorophenoxy)-2-oxopropylphosphonate?
The CAS number of Dimethyl 3-(3-chlorophenoxy)-2-oxopropylphosphonate is 40665-94-9.
What is the molecular formula of Dimethyl 3-(3-chlorophenoxy)-2-oxopropylphosphonate?
The molecular formula of Dimethyl 3-(3-chlorophenoxy)-2-oxopropylphosphonate is C11H14ClO5P.
What is the molecular weight of Dimethyl 3-(3-chlorophenoxy)-2-oxopropylphosphonate?
The molecular weight of Dimethyl 3-(3-chlorophenoxy)-2-oxopropylphosphonate is 292.03 g/mol.
Where can I buy Dimethyl 3-(3-chlorophenoxy)-2-oxopropylphosphonate?
You can request a quote for Dimethyl 3-(3-chlorophenoxy)-2-oxopropylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 3-(3-chlorophenoxy)-2-oxopropylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 3-(3-chlorophenoxy)-2-oxopropylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.