4-Chloro-5-(diethoxyphosphorylmethyl)-1-methyl-2-phenylpyrazol-3-one
TL;DR: 4-Chloro-5-(diethoxyphosphorylmethyl)-1-methyl-2-phenylpyrazol-3-one (CAS 1020252-43-0) is a chemical compound with molecular formula C15H20ClN2O4P and molecular weight 358.08493 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-5-(diethoxyphosphorylmethyl)-1-methyl-2-phenylpyrazol-3-one
Also Known As: diethyl (4-chloro-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methylphosphonate, 4-chloro-5-(diethoxyphosphorylmethyl)-1-methyl-2-phenylpyrazol-3-one, 4-chloro-5-(diethoxyphosphorylmethyl)-1-methyl-2-phenyl-pyrazol-3-one, diethyl [(4-chloro-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methyl]phosphonate, diethyl (4-chloro-2-methyl-5-oxo-1-phenylpyrazol-3-yl)methylphosphonate
Technical Specifications
| Molecular Formula | C15H20ClN2O4P |
| Molecular Weight | 358.08493 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 59.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 358.08493 Da |
| Heavy Atoms | 23 |
| Complexity | 510.0 |
| SMILES | CCOP(=O)(CC1=C(C(=O)N(N1C)C2=CC=CC=C2)Cl)OCC |
| InChIKey | LVVBSMXREMJVOE-UHFFFAOYSA-N |
Chemical Property Profile of 4-Chloro-5-(diethoxyphosphorylmethyl)-1-methyl-2-phenylpyrazol-3-one
Property Insights of 4-Chloro-5-(diethoxyphosphorylmethyl)-1-methyl-2-phenylpyrazol-3-one
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-5-(diethoxyphosphorylmethyl)-1-methyl-2-phenylpyrazol-3-one. With a topological polar surface area (TPSA) of 59.1 Ų, 4-Chloro-5-(diethoxyphosphorylmethyl)-1-methyl-2-phenylpyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-5-(diethoxyphosphorylmethyl)-1-methyl-2-phenylpyrazol-3-one 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
What is the CAS number of 4-Chloro-5-(diethoxyphosphorylmethyl)-1-methyl-2-phenylpyrazol-3-one?
The CAS number of 4-Chloro-5-(diethoxyphosphorylmethyl)-1-methyl-2-phenylpyrazol-3-one is 1020252-43-0.
What is the molecular formula of 4-Chloro-5-(diethoxyphosphorylmethyl)-1-methyl-2-phenylpyrazol-3-one?
The molecular formula of 4-Chloro-5-(diethoxyphosphorylmethyl)-1-methyl-2-phenylpyrazol-3-one is C15H20ClN2O4P.
What is the molecular weight of 4-Chloro-5-(diethoxyphosphorylmethyl)-1-methyl-2-phenylpyrazol-3-one?
The molecular weight of 4-Chloro-5-(diethoxyphosphorylmethyl)-1-methyl-2-phenylpyrazol-3-one is 358.08493 g/mol.
Where can I buy 4-Chloro-5-(diethoxyphosphorylmethyl)-1-methyl-2-phenylpyrazol-3-one?
You can request a quote for 4-Chloro-5-(diethoxyphosphorylmethyl)-1-methyl-2-phenylpyrazol-3-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Chloro-5-(diethoxyphosphorylmethyl)-1-methyl-2-phenylpyrazol-3-one?
Yes, CoreyChem provides custom synthesis services for 4-Chloro-5-(diethoxyphosphorylmethyl)-1-methyl-2-phenylpyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.