![benzyl 2-amino-1-(1,3-benzodioxol-5-ylmethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate structure](/static/products/579/579443-57-5.png)
benzyl 2-amino-1-(1,3-benzodioxol-5-ylmethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
TL;DR: benzyl 2-amino-1-(1,3-benzodioxol-5-ylmethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate (CAS 579443-57-5) is a chemical compound with molecular formula C26H20N4O4 and molecular weight 452.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-amino-1-(1,3-benzodioxol-5-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
Also Known As: benzyl 2-amino-1-(1,3-benzodioxol-5-ylmethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate, benzyl 2-amino-1-(1,3-benzodioxol-5-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate, benzyl 2-amino-1-(benzo[d][1,3]dioxol-5-ylmethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
| Molecular Formula | C26H20N4O4 |
|---|---|
| Molecular Weight | 452.15 g/mol |
| LogP | 4.3007 |
| Topological Polar Surface Area | 101.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 452.14847 |
| Heavy Atoms | 34 |
| Complexity | 1545.5903 |
Chemical Identifiers
| CAS Number | 579443-57-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CN3C(=C(C4=NC5=CC=CC=C5N=C43)C(=O)OCC6=CC=CC=C6)N |
Product Overview
benzyl 2-amino-1-(1,3-benzodioxol-5-ylmethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate (CAS 579443-57-5), with molecular formula C26H20N4O4 and molecular weight 452.15 g/mol. IUPAC: benzyl 2-amino-1-(1,3-benzodioxol-5-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.
Chemical Property Profile of benzyl 2-amino-1-(1,3-benzodioxol-5-ylmethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Property Insights of benzyl 2-amino-1-(1,3-benzodioxol-5-ylmethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
The XLogP value of 4.3007 indicates that benzyl 2-amino-1-(1,3-benzodioxol-5-ylmethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.49 Ų falls within the moderate polarity range, balancing permeability and solubility for benzyl 2-amino-1-(1,3-benzodioxol-5-ylmethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate. Following Lipinski's Rule of Five, benzyl 2-amino-1-(1,3-benzodioxol-5-ylmethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-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 benzyl 2-amino-1-(1,3-benzodioxol-5-ylmethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate?
The CAS number of benzyl 2-amino-1-(1,3-benzodioxol-5-ylmethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate is 579443-57-5.
What is the molecular formula of benzyl 2-amino-1-(1,3-benzodioxol-5-ylmethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate?
The molecular formula of benzyl 2-amino-1-(1,3-benzodioxol-5-ylmethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate is C26H20N4O4.
What is the molecular weight of benzyl 2-amino-1-(1,3-benzodioxol-5-ylmethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate?
The molecular weight of benzyl 2-amino-1-(1,3-benzodioxol-5-ylmethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate is 452.15 g/mol.
Where can I buy benzyl 2-amino-1-(1,3-benzodioxol-5-ylmethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate?
You can request a quote for benzyl 2-amino-1-(1,3-benzodioxol-5-ylmethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzyl 2-amino-1-(1,3-benzodioxol-5-ylmethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for benzyl 2-amino-1-(1,3-benzodioxol-5-ylmethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.