3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazole-4-carbaldehyde
TL;DR: 3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazole-4-carbaldehyde (CAS 1046461-90-8) is a chemical compound with molecular formula C11H8N2O3 and molecular weight 216.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzodioxol-5-yl)-1H-pyrazole-4-carbaldehyde
Also Known As: 3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazole-4-carbaldehyde, 5-(Benzo[d][1,3]dioxol-5-yl)-1H-pyrazole-4-carbaldehyde, 5-(1,3-benzodioxol-5-yl)-1H-pyrazole-4-carbaldehyde, 3-(1,3-dioxaindan-5-yl)-1H-pyrazole-4-carbaldehyde, 3-(1,3-Benzodioxol-5-yl)-1H-pyrazole-4-carboxaldehyde
| Molecular Formula | C11H8N2O3 |
|---|---|
| Molecular Weight | 216.05 g/mol |
| LogP | 1.6179 |
| Topological Polar Surface Area | 64.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.0535 |
| Heavy Atoms | 16 |
| Complexity | 547.9127 |
Chemical Identifiers
| CAS Number | 1046461-90-8 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=C(C=NN3)C=O |
Product Overview
3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazole-4-carbaldehyde (CAS 1046461-90-8), with molecular formula C11H8N2O3 and molecular weight 216.05 g/mol. IUPAC: 5-(1,3-benzodioxol-5-yl)-1H-pyrazole-4-carbaldehyde.
Chemical Property Profile of 3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazole-4-carbaldehyde
Property Insights of 3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazole-4-carbaldehyde
The XLogP value of 1.6179 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazole-4-carbaldehyde. The TPSA of 64.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazole-4-carbaldehyde. Following Lipinski's Rule of Five, 3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazole-4-carbaldehyde has 1 hydrogen bond donor(s) and 4 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 3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazole-4-carbaldehyde?
The CAS number of 3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazole-4-carbaldehyde is 1046461-90-8.
What is the molecular formula of 3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazole-4-carbaldehyde?
The molecular formula of 3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazole-4-carbaldehyde is C11H8N2O3.
What is the molecular weight of 3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazole-4-carbaldehyde?
The molecular weight of 3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazole-4-carbaldehyde is 216.05 g/mol.
Where can I buy 3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazole-4-carbaldehyde?
You can request a quote for 3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazole-4-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazole-4-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazole-4-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.