![butan-2-yl 2-amino-1-(4-chlorobenzyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate structure](/static/products/844/844654-45-1.png)
butan-2-yl 2-amino-1-(4-chlorobenzyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
TL;DR: butan-2-yl 2-amino-1-(4-chlorobenzyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate (CAS 844654-45-1) is a chemical compound with molecular formula C22H21ClN4O2 and molecular weight 408.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butan-2-yl 2-amino-1-[(4-chlorophenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate
Also Known As: butan-2-yl 2-amino-1-(4-chlorobenzyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate, butan-2-yl 2-amino-1-[(4-chlorophenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate, sec-butyl 2-amino-1-(4-chlorobenzyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
| Molecular Formula | C22H21ClN4O2 |
|---|---|
| Molecular Weight | 408.14 g/mol |
| LogP | 4.8237 |
| Topological Polar Surface Area | 83.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.1353 |
| Heavy Atoms | 29 |
| Complexity | 1201.1141 |
Chemical Identifiers
| CAS Number | 844654-45-1 |
|---|---|
| SMILES | CCC(C)OC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CC4=CC=C(C=C4)Cl)N |
Product Overview
butan-2-yl 2-amino-1-(4-chlorobenzyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate (CAS 844654-45-1), with molecular formula C22H21ClN4O2 and molecular weight 408.14 g/mol. IUPAC: butan-2-yl 2-amino-1-[(4-chlorophenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate.
Chemical Property Profile of butan-2-yl 2-amino-1-(4-chlorobenzyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
Property Insights of butan-2-yl 2-amino-1-(4-chlorobenzyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
The XLogP value of 4.8237 indicates that butan-2-yl 2-amino-1-(4-chlorobenzyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.03 Ų falls within the moderate polarity range, balancing permeability and solubility for butan-2-yl 2-amino-1-(4-chlorobenzyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate. Following Lipinski's Rule of Five, butan-2-yl 2-amino-1-(4-chlorobenzyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate has 1 hydrogen bond donor(s) and 5 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-(4-chlorobenzyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate?
The CAS number of butan-2-yl 2-amino-1-(4-chlorobenzyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate is 844654-45-1.
What is the molecular formula of butan-2-yl 2-amino-1-(4-chlorobenzyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate?
The molecular formula of butan-2-yl 2-amino-1-(4-chlorobenzyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate is C22H21ClN4O2.
What is the molecular weight of butan-2-yl 2-amino-1-(4-chlorobenzyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate?
The molecular weight of butan-2-yl 2-amino-1-(4-chlorobenzyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate is 408.14 g/mol.
Where can I buy butan-2-yl 2-amino-1-(4-chlorobenzyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate?
You can request a quote for butan-2-yl 2-amino-1-(4-chlorobenzyl)-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-(4-chlorobenzyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for butan-2-yl 2-amino-1-(4-chlorobenzyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.