Tetraethyl (5-benzoyl-2,4-dihydro-3H-pyrazol-3-ylidene)bisphosphonate
TL;DR: Tetraethyl (5-benzoyl-2,4-dihydro-3H-pyrazol-3-ylidene)bisphosphonate (CAS 132508-02-2) is a chemical compound with molecular formula C18H28N2O7P2 and molecular weight 446.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5,5-bis(diethoxyphosphoryl)-1,4-dihydropyrazol-3-yl]-phenylmethanone
Also Known As: Tetraethyl (5-benzoyl-2,4-dihydro-3H-pyrazol-3-ylidene)bisphosphonate, Phosphonic acid, (5-benzoyl-2,4-dihydro-3H-pyrazol-3-ylidene)bis-, tetraethyl ester, [5,5-bis(diethoxyphosphoryl)-1,4-dihydropyrazol-3-yl]-phenylmethanone, [5-Benzoyl-2,4-dihydro-3H-pyrazol-3-ylidene]bisphosphonic acid tetraethyl ester, Tetraethyl (3-benzoyl-4,5-dihydro-1H-pyrazole-5,5-diyl)bis(phosphonate)
| Molecular Formula | C18H28N2O7P2 |
|---|---|
| Molecular Weight | 446.14 g/mol |
| LogP | 4.4046 |
| Topological Polar Surface Area | 112.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 446.13718 |
| Heavy Atoms | 29 |
| Complexity | 778.75836 |
Chemical Identifiers
| CAS Number | 132508-02-2 |
|---|---|
| SMILES | CCOP(=O)(C1(CC(=NN1)C(=O)C2=CC=CC=C2)P(=O)(OCC)OCC)OCC |
Product Overview
Tetraethyl (5-benzoyl-2,4-dihydro-3H-pyrazol-3-ylidene)bisphosphonate (CAS 132508-02-2), with molecular formula C18H28N2O7P2 and molecular weight 446.14 g/mol. IUPAC: [5,5-bis(diethoxyphosphoryl)-1,4-dihydropyrazol-3-yl]-phenylmethanone.
Chemical Property Profile of Tetraethyl (5-benzoyl-2,4-dihydro-3H-pyrazol-3-ylidene)bisphosphonate
Property Insights of Tetraethyl (5-benzoyl-2,4-dihydro-3H-pyrazol-3-ylidene)bisphosphonate
The XLogP value of 4.4046 indicates that Tetraethyl (5-benzoyl-2,4-dihydro-3H-pyrazol-3-ylidene)bisphosphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.52 Ų falls within the moderate polarity range, balancing permeability and solubility for Tetraethyl (5-benzoyl-2,4-dihydro-3H-pyrazol-3-ylidene)bisphosphonate. Following Lipinski's Rule of Five, Tetraethyl (5-benzoyl-2,4-dihydro-3H-pyrazol-3-ylidene)bisphosphonate has 1 hydrogen bond donor(s) and 9 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 Tetraethyl (5-benzoyl-2,4-dihydro-3H-pyrazol-3-ylidene)bisphosphonate?
The CAS number of Tetraethyl (5-benzoyl-2,4-dihydro-3H-pyrazol-3-ylidene)bisphosphonate is 132508-02-2.
What is the molecular formula of Tetraethyl (5-benzoyl-2,4-dihydro-3H-pyrazol-3-ylidene)bisphosphonate?
The molecular formula of Tetraethyl (5-benzoyl-2,4-dihydro-3H-pyrazol-3-ylidene)bisphosphonate is C18H28N2O7P2.
What is the molecular weight of Tetraethyl (5-benzoyl-2,4-dihydro-3H-pyrazol-3-ylidene)bisphosphonate?
The molecular weight of Tetraethyl (5-benzoyl-2,4-dihydro-3H-pyrazol-3-ylidene)bisphosphonate is 446.14 g/mol.
Where can I buy Tetraethyl (5-benzoyl-2,4-dihydro-3H-pyrazol-3-ylidene)bisphosphonate?
You can request a quote for Tetraethyl (5-benzoyl-2,4-dihydro-3H-pyrazol-3-ylidene)bisphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetraethyl (5-benzoyl-2,4-dihydro-3H-pyrazol-3-ylidene)bisphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Tetraethyl (5-benzoyl-2,4-dihydro-3H-pyrazol-3-ylidene)bisphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.