5-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-phenylpyrazole-3-carboxylic acid
TL;DR: 5-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-phenylpyrazole-3-carboxylic acid (CAS 618383-01-0) is a chemical compound with molecular formula C18H14N2O4 and molecular weight 322.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazole-5-carboxylic acid
Also Known As: Chlorazodin, 5131AH, 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylpyrazole-3-carboxylic acid, 3-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-1-phenyl-1H-pyrazole-5-carboxylic acid, 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-1H-pyrazole-5-carboxylic acid
| Molecular Formula | C18H14N2O4 |
|---|---|
| Molecular Weight | 322.10 g/mol |
| LogP | 3.0087 |
| Topological Polar Surface Area | 73.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 322.09537 |
| Heavy Atoms | 24 |
| Complexity | 902.63715 |
Chemical Identifiers
| CAS Number | 618383-01-0 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)C3=NN(C(=C3)C(=O)O)C4=CC=CC=C4 |
Product Overview
5-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-phenylpyrazole-3-carboxylic acid (CAS 618383-01-0), with molecular formula C18H14N2O4 and molecular weight 322.10 g/mol. IUPAC: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazole-5-carboxylic acid.
Chemical Property Profile of 5-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-phenylpyrazole-3-carboxylic acid
Property Insights of 5-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-phenylpyrazole-3-carboxylic acid
The XLogP value of 3.0087 indicates that 5-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-phenylpyrazole-3-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-phenylpyrazole-3-carboxylic acid. Following Lipinski's Rule of Five, 5-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-phenylpyrazole-3-carboxylic acid 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 5-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-phenylpyrazole-3-carboxylic acid?
The CAS number of 5-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-phenylpyrazole-3-carboxylic acid is 618383-01-0.
What is the molecular formula of 5-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-phenylpyrazole-3-carboxylic acid?
The molecular formula of 5-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-phenylpyrazole-3-carboxylic acid is C18H14N2O4.
What is the molecular weight of 5-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-phenylpyrazole-3-carboxylic acid?
The molecular weight of 5-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-phenylpyrazole-3-carboxylic acid is 322.10 g/mol.
Where can I buy 5-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-phenylpyrazole-3-carboxylic acid?
You can request a quote for 5-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-phenylpyrazole-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-phenylpyrazole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-phenylpyrazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.