![[2-oxo-2-(4-phenyldiazenylanilino)ethyl] 1,3-benzodioxole-5-carboxylate structure](/static/products/100/1002582-79-7.png)
[2-oxo-2-(4-phenyldiazenylanilino)ethyl] 1,3-benzodioxole-5-carboxylate
TL;DR: [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 1,3-benzodioxole-5-carboxylate (CAS 1002582-79-7) is a chemical compound with molecular formula C22H17N3O5 and molecular weight 403.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-oxo-2-(4-phenyldiazenylanilino)ethyl] 1,3-benzodioxole-5-carboxylate
Also Known As: [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 1,3-benzodioxole-5-carboxylate|1,3-Benzodioxole-5-carboxylic acid, 2-oxo-2-[[4-[(1E)-2-phenyldiazenyl]phenyl]amino]ethyl ester
| Molecular Formula | C22H17N3O5 |
|---|---|
| Molecular Weight | 403.12 g/mol |
| LogP | 4.6262 |
| Topological Polar Surface Area | 98.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 403.11682 |
| Heavy Atoms | 30 |
| Complexity | 1081.687 |
Chemical Identifiers
| CAS Number | 1002582-79-7 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)N=NC4=CC=CC=C4 |
Product Overview
[2-oxo-2-(4-phenyldiazenylanilino)ethyl] 1,3-benzodioxole-5-carboxylate (CAS 1002582-79-7), with molecular formula C22H17N3O5 and molecular weight 403.12 g/mol. IUPAC: [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 1,3-benzodioxole-5-carboxylate.
Chemical Property Profile of [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 1,3-benzodioxole-5-carboxylate
Property Insights of [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 1,3-benzodioxole-5-carboxylate
The XLogP value of 4.6262 indicates that [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 1,3-benzodioxole-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.58 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 1,3-benzodioxole-5-carboxylate. Following Lipinski's Rule of Five, [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 1,3-benzodioxole-5-carboxylate has 1 hydrogen bond donor(s) and 7 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-oxo-2-(4-phenyldiazenylanilino)ethyl] 1,3-benzodioxole-5-carboxylate?
The CAS number of [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 1,3-benzodioxole-5-carboxylate is 1002582-79-7.
What is the molecular formula of [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 1,3-benzodioxole-5-carboxylate?
The molecular formula of [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 1,3-benzodioxole-5-carboxylate is C22H17N3O5.
What is the molecular weight of [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 1,3-benzodioxole-5-carboxylate?
The molecular weight of [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 1,3-benzodioxole-5-carboxylate is 403.12 g/mol.
Where can I buy [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 1,3-benzodioxole-5-carboxylate?
You can request a quote for [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 1,3-benzodioxole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 1,3-benzodioxole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 1,3-benzodioxole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.