(E)-2-Benzylidene-5-oxopyrazolidin-2-ium-1-ide
TL;DR: (E)-2-Benzylidene-5-oxopyrazolidin-2-ium-1-ide (CAS 1321111-54-9) is a chemical compound with molecular formula C10H10N2O and molecular weight 174.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-benzylidene-3,4-dihydropyrazol-2-ium-5-olate
Also Known As: (E)-2-Benzylidene-5-oxopyrazolidin-2-ium-1-ide, 1-Phenylmethyleneimmoniom-3-pyrazolidinone-1,2-inner salt, (2E)-2-benzylidene-3,4-dihydropyrazol-2-ium-5-olate, (1E)-3-oxo-1-(phenylmethylidene)-1lambda5-pyrazolidin-1-ylium-2-ide
| Molecular Formula | C10H10N2O |
|---|---|
| Molecular Weight | 174.08 g/mol |
| LogP | 0.1955 |
| Topological Polar Surface Area | 38.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.07932 |
| Heavy Atoms | 13 |
| Complexity | 354.44733 |
Chemical Identifiers
| CAS Number | 1321111-54-9 |
|---|---|
| SMILES | C1C/[N+](=C\C2=CC=CC=C2)/N=C1[O-] |
Product Overview
(E)-2-Benzylidene-5-oxopyrazolidin-2-ium-1-ide (CAS 1321111-54-9), with molecular formula C10H10N2O and molecular weight 174.08 g/mol. IUPAC: (2E)-2-benzylidene-3,4-dihydropyrazol-2-ium-5-olate.
Chemical Property Profile of (E)-2-Benzylidene-5-oxopyrazolidin-2-ium-1-ide
Property Insights of (E)-2-Benzylidene-5-oxopyrazolidin-2-ium-1-ide
The XLogP value of 0.1955 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-Benzylidene-5-oxopyrazolidin-2-ium-1-ide. With a topological polar surface area (TPSA) of 38.43 Ų, (E)-2-Benzylidene-5-oxopyrazolidin-2-ium-1-ide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-2-Benzylidene-5-oxopyrazolidin-2-ium-1-ide has 0 hydrogen bond donor(s) and 2 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 (E)-2-Benzylidene-5-oxopyrazolidin-2-ium-1-ide?
The CAS number of (E)-2-Benzylidene-5-oxopyrazolidin-2-ium-1-ide is 1321111-54-9.
What is the molecular formula of (E)-2-Benzylidene-5-oxopyrazolidin-2-ium-1-ide?
The molecular formula of (E)-2-Benzylidene-5-oxopyrazolidin-2-ium-1-ide is C10H10N2O.
What is the molecular weight of (E)-2-Benzylidene-5-oxopyrazolidin-2-ium-1-ide?
The molecular weight of (E)-2-Benzylidene-5-oxopyrazolidin-2-ium-1-ide is 174.08 g/mol.
Where can I buy (E)-2-Benzylidene-5-oxopyrazolidin-2-ium-1-ide?
You can request a quote for (E)-2-Benzylidene-5-oxopyrazolidin-2-ium-1-ide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-Benzylidene-5-oxopyrazolidin-2-ium-1-ide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-Benzylidene-5-oxopyrazolidin-2-ium-1-ide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.