![2-(4-(4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1H-pyrazol-3-yl)-2-ethyl-5-hydroxyphenoxy)acetic acid structure](/static/products/374/374702-91-7.png)
2-(4-(4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1H-pyrazol-3-yl)-2-ethyl-5-hydroxyphenoxy)acetic acid
TL;DR: 2-(4-(4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1H-pyrazol-3-yl)-2-ethyl-5-hydroxyphenoxy)acetic acid (CAS 374702-91-7) is a chemical compound with molecular formula C21H20N2O6 and molecular weight 396.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-5-yl]-2-ethyl-5-hydroxyphenoxy]acetic acid
Also Known As: 2-(4-(4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1H-pyrazol-3-yl)-2-ethyl-5-hydroxyphenoxy)acetic acid, 2-[(4E)-4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-dihydropyrazol-3-ylidene]-6-ethyl-3-oxocyclohexa-1,5-dien-1-yl]oxyacetic acid, 2-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-dihydropyrazol-3-ylidene]-6-ethyl-3-oxocyclohexa-1,5-dien-1-yl]oxyacetic acid
| Molecular Formula | C21H20N2O6 |
|---|---|
| Molecular Weight | 396.13 g/mol |
| LogP | 3.2463 |
| Topological Polar Surface Area | 113.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 396.13214 |
| Heavy Atoms | 29 |
| Complexity | 1059.3201 |
Chemical Identifiers
| CAS Number | 374702-91-7 |
|---|---|
| SMILES | CCC1=CC(=C(C=C1OCC(=O)O)O)C2=C(C=NN2)C3=CC4=C(C=C3)OCCO4 |
Product Overview
2-(4-(4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1H-pyrazol-3-yl)-2-ethyl-5-hydroxyphenoxy)acetic acid (CAS 374702-91-7), with molecular formula C21H20N2O6 and molecular weight 396.13 g/mol. IUPAC: 2-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-5-yl]-2-ethyl-5-hydroxyphenoxy]acetic acid.
Chemical Property Profile of 2-(4-(4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1H-pyrazol-3-yl)-2-ethyl-5-hydroxyphenoxy)acetic acid
Property Insights of 2-(4-(4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1H-pyrazol-3-yl)-2-ethyl-5-hydroxyphenoxy)acetic acid
The XLogP value of 3.2463 indicates that 2-(4-(4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1H-pyrazol-3-yl)-2-ethyl-5-hydroxyphenoxy)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-(4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1H-pyrazol-3-yl)-2-ethyl-5-hydroxyphenoxy)acetic acid. Following Lipinski's Rule of Five, 2-(4-(4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1H-pyrazol-3-yl)-2-ethyl-5-hydroxyphenoxy)acetic acid has 3 hydrogen bond donor(s) and 6 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-(4-(4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1H-pyrazol-3-yl)-2-ethyl-5-hydroxyphenoxy)acetic acid?
The CAS number of 2-(4-(4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1H-pyrazol-3-yl)-2-ethyl-5-hydroxyphenoxy)acetic acid is 374702-91-7.
What is the molecular formula of 2-(4-(4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1H-pyrazol-3-yl)-2-ethyl-5-hydroxyphenoxy)acetic acid?
The molecular formula of 2-(4-(4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1H-pyrazol-3-yl)-2-ethyl-5-hydroxyphenoxy)acetic acid is C21H20N2O6.
What is the molecular weight of 2-(4-(4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1H-pyrazol-3-yl)-2-ethyl-5-hydroxyphenoxy)acetic acid?
The molecular weight of 2-(4-(4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1H-pyrazol-3-yl)-2-ethyl-5-hydroxyphenoxy)acetic acid is 396.13 g/mol.
Where can I buy 2-(4-(4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1H-pyrazol-3-yl)-2-ethyl-5-hydroxyphenoxy)acetic acid?
You can request a quote for 2-(4-(4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1H-pyrazol-3-yl)-2-ethyl-5-hydroxyphenoxy)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-(4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1H-pyrazol-3-yl)-2-ethyl-5-hydroxyphenoxy)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-(4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1H-pyrazol-3-yl)-2-ethyl-5-hydroxyphenoxy)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.