2-Benzylidene-3-methyl-3,4-dihydropyrazol-2-ium-5-olate
TL;DR: 2-Benzylidene-3-methyl-3,4-dihydropyrazol-2-ium-5-olate (CAS 14893-83-5) is a chemical compound with molecular formula C11H12N2O and molecular weight 188.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylidene-3-methyl-3,4-dihydropyrazol-2-ium-5-olate
Also Known As: 1-benzylidene-5-methyl-4,5-dihydropyrazol-3-olate, (Z)-1-benzylidene-5-methyl-3-oxo-pyrazolidin-1-ium-2-ide, 2-benzylidene-3-methyl-3,4-dihydropyrazol-2-ium-5-olate
| Molecular Formula | C11H12N2O |
|---|---|
| Molecular Weight | 188.09 g/mol |
| LogP | 0.584 |
| Topological Polar Surface Area | 38.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.09496 |
| Heavy Atoms | 14 |
| Complexity | 381.5338 |
Chemical Identifiers
| CAS Number | 14893-83-5 |
|---|---|
| SMILES | CC1CC(=N[N+]1=CC2=CC=CC=C2)[O-] |
Product Overview
2-Benzylidene-3-methyl-3,4-dihydropyrazol-2-ium-5-olate (CAS 14893-83-5), with molecular formula C11H12N2O and molecular weight 188.09 g/mol. IUPAC: 2-benzylidene-3-methyl-3,4-dihydropyrazol-2-ium-5-olate.
Chemical Property Profile of 2-Benzylidene-3-methyl-3,4-dihydropyrazol-2-ium-5-olate
Property Insights of 2-Benzylidene-3-methyl-3,4-dihydropyrazol-2-ium-5-olate
The XLogP value of 0.584 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzylidene-3-methyl-3,4-dihydropyrazol-2-ium-5-olate. With a topological polar surface area (TPSA) of 38.43 Ų, 2-Benzylidene-3-methyl-3,4-dihydropyrazol-2-ium-5-olate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzylidene-3-methyl-3,4-dihydropyrazol-2-ium-5-olate 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 2-Benzylidene-3-methyl-3,4-dihydropyrazol-2-ium-5-olate?
The CAS number of 2-Benzylidene-3-methyl-3,4-dihydropyrazol-2-ium-5-olate is 14893-83-5.
What is the molecular formula of 2-Benzylidene-3-methyl-3,4-dihydropyrazol-2-ium-5-olate?
The molecular formula of 2-Benzylidene-3-methyl-3,4-dihydropyrazol-2-ium-5-olate is C11H12N2O.
What is the molecular weight of 2-Benzylidene-3-methyl-3,4-dihydropyrazol-2-ium-5-olate?
The molecular weight of 2-Benzylidene-3-methyl-3,4-dihydropyrazol-2-ium-5-olate is 188.09 g/mol.
Where can I buy 2-Benzylidene-3-methyl-3,4-dihydropyrazol-2-ium-5-olate?
You can request a quote for 2-Benzylidene-3-methyl-3,4-dihydropyrazol-2-ium-5-olate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzylidene-3-methyl-3,4-dihydropyrazol-2-ium-5-olate?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzylidene-3-methyl-3,4-dihydropyrazol-2-ium-5-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.