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butyl 2-amino-1-(1,3-benzodioxol-5-ylmethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
TL;DR: butyl 2-amino-1-(1,3-benzodioxol-5-ylmethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate (CAS 433972-16-8) is a chemical compound with molecular formula C23H22N4O4 and molecular weight 418.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-amino-1-(1,3-benzodioxol-5-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
Also Known As: butyl 2-amino-1-(1,3-benzodioxol-5-ylmethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate, butyl 2-amino-1-(1,3-benzodioxol-5-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate, butyl 2-amino-1-(benzo[d][1,3]dioxol-5-ylmethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
| Molecular Formula | C23H22N4O4 |
|---|---|
| Molecular Weight | 418.16 g/mol |
| LogP | 3.9006 |
| Topological Polar Surface Area | 101.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.1641 |
| Heavy Atoms | 31 |
| Complexity | 1297.9644 |
Chemical Identifiers
| CAS Number | 433972-16-8 |
|---|---|
| SMILES | CCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CC4=CC5=C(C=C4)OCO5)N |
Product Overview
butyl 2-amino-1-(1,3-benzodioxol-5-ylmethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate (CAS 433972-16-8), with molecular formula C23H22N4O4 and molecular weight 418.16 g/mol. IUPAC: butyl 2-amino-1-(1,3-benzodioxol-5-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.
Chemical Property Profile of butyl 2-amino-1-(1,3-benzodioxol-5-ylmethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Property Insights of butyl 2-amino-1-(1,3-benzodioxol-5-ylmethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
The XLogP value of 3.9006 indicates that butyl 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 butyl 2-amino-1-(1,3-benzodioxol-5-ylmethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate. Following Lipinski's Rule of Five, butyl 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 butyl 2-amino-1-(1,3-benzodioxol-5-ylmethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate?
The CAS number of butyl 2-amino-1-(1,3-benzodioxol-5-ylmethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate is 433972-16-8.
What is the molecular formula of butyl 2-amino-1-(1,3-benzodioxol-5-ylmethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate?
The molecular formula of butyl 2-amino-1-(1,3-benzodioxol-5-ylmethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate is C23H22N4O4.
What is the molecular weight of butyl 2-amino-1-(1,3-benzodioxol-5-ylmethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate?
The molecular weight of butyl 2-amino-1-(1,3-benzodioxol-5-ylmethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate is 418.16 g/mol.
Where can I buy butyl 2-amino-1-(1,3-benzodioxol-5-ylmethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate?
You can request a quote for butyl 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 butyl 2-amino-1-(1,3-benzodioxol-5-ylmethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for butyl 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.