![butan-2-yl 2-amino-1-(1,3-benzodioxol-5-yl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate structure](/static/products/845/845669-99-0.png)
butan-2-yl 2-amino-1-(1,3-benzodioxol-5-yl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
TL;DR: butan-2-yl 2-amino-1-(1,3-benzodioxol-5-yl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate (CAS 845669-99-0) is a chemical compound with molecular formula C22H20N4O4 and molecular weight 404.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butan-2-yl 2-amino-1-(1,3-benzodioxol-5-yl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
Also Known As: butan-2-yl 2-amino-1-(1,3-benzodioxol-5-yl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate, butan-2-yl 2-amino-1-(1,3-benzodioxol-5-yl)pyrrolo[3,2-b]quinoxaline-3-carboxylate, sec-butyl 2-amino-1-(benzo[d][1,3]dioxol-5-yl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
| Molecular Formula | C22H20N4O4 |
|---|---|
| Molecular Weight | 404.15 g/mol |
| LogP | 3.8399 |
| Topological Polar Surface Area | 101.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.14847 |
| Heavy Atoms | 30 |
| Complexity | 1297.5254 |
Chemical Identifiers
| CAS Number | 845669-99-0 |
|---|---|
| SMILES | CCC(C)OC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC5=C(C=C4)OCO5)N |
Product Overview
butan-2-yl 2-amino-1-(1,3-benzodioxol-5-yl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate (CAS 845669-99-0), with molecular formula C22H20N4O4 and molecular weight 404.15 g/mol. IUPAC: butan-2-yl 2-amino-1-(1,3-benzodioxol-5-yl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.
Chemical Property Profile of butan-2-yl 2-amino-1-(1,3-benzodioxol-5-yl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Property Insights of butan-2-yl 2-amino-1-(1,3-benzodioxol-5-yl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
The XLogP value of 3.8399 indicates that butan-2-yl 2-amino-1-(1,3-benzodioxol-5-yl)-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 butan-2-yl 2-amino-1-(1,3-benzodioxol-5-yl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate. Following Lipinski's Rule of Five, butan-2-yl 2-amino-1-(1,3-benzodioxol-5-yl)-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 butan-2-yl 2-amino-1-(1,3-benzodioxol-5-yl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate?
The CAS number of butan-2-yl 2-amino-1-(1,3-benzodioxol-5-yl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate is 845669-99-0.
What is the molecular formula of butan-2-yl 2-amino-1-(1,3-benzodioxol-5-yl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate?
The molecular formula of butan-2-yl 2-amino-1-(1,3-benzodioxol-5-yl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate is C22H20N4O4.
What is the molecular weight of butan-2-yl 2-amino-1-(1,3-benzodioxol-5-yl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate?
The molecular weight of butan-2-yl 2-amino-1-(1,3-benzodioxol-5-yl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate is 404.15 g/mol.
Where can I buy butan-2-yl 2-amino-1-(1,3-benzodioxol-5-yl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate?
You can request a quote for butan-2-yl 2-amino-1-(1,3-benzodioxol-5-yl)-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 butan-2-yl 2-amino-1-(1,3-benzodioxol-5-yl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for butan-2-yl 2-amino-1-(1,3-benzodioxol-5-yl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.