![butyl 4-[2-amino-3-(thiophen-2-ylmethylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate structure](/static/products/840/840485-90-7.png)
butyl 4-[2-amino-3-(thiophen-2-ylmethylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate
TL;DR: butyl 4-[2-amino-3-(thiophen-2-ylmethylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate (CAS 840485-90-7) is a chemical compound with molecular formula C27H25N5O3S and molecular weight 499.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-[2-amino-3-(thiophen-2-ylmethylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate
Also Known As: butyl 4-[2-amino-3-(thiophen-2-ylmethylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate, butyl 4-(2-amino-3-((thiophen-2-ylmethyl)carbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)benzoate, butyl 4-{2-amino-3-[(thiophen-2-ylmethyl)carbamoyl]-1H-pyrrolo[2,3-b]quinoxalin-1-yl}benzoate
| Molecular Formula | C27H25N5O3S |
|---|---|
| Molecular Weight | 499.17 g/mol |
| LogP | 5.1043 |
| Topological Polar Surface Area | 112.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 499.16782 |
| Heavy Atoms | 36 |
| Complexity | 1541.7954 |
Chemical Identifiers
| CAS Number | 840485-90-7 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCC5=CC=CS5)N |
Product Overview
butyl 4-[2-amino-3-(thiophen-2-ylmethylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate (CAS 840485-90-7), with molecular formula C27H25N5O3S and molecular weight 499.17 g/mol. IUPAC: butyl 4-[2-amino-3-(thiophen-2-ylmethylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate.
Chemical Property Profile of butyl 4-[2-amino-3-(thiophen-2-ylmethylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate
Property Insights of butyl 4-[2-amino-3-(thiophen-2-ylmethylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate
The XLogP value of 5.1043 indicates that butyl 4-[2-amino-3-(thiophen-2-ylmethylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.13 Ų falls within the moderate polarity range, balancing permeability and solubility for butyl 4-[2-amino-3-(thiophen-2-ylmethylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate. Following Lipinski's Rule of Five, butyl 4-[2-amino-3-(thiophen-2-ylmethylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of butyl 4-[2-amino-3-(thiophen-2-ylmethylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate?
The CAS number of butyl 4-[2-amino-3-(thiophen-2-ylmethylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate is 840485-90-7.
What is the molecular formula of butyl 4-[2-amino-3-(thiophen-2-ylmethylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate?
The molecular formula of butyl 4-[2-amino-3-(thiophen-2-ylmethylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate is C27H25N5O3S.
What is the molecular weight of butyl 4-[2-amino-3-(thiophen-2-ylmethylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate?
The molecular weight of butyl 4-[2-amino-3-(thiophen-2-ylmethylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate is 499.17 g/mol.
Where can I buy butyl 4-[2-amino-3-(thiophen-2-ylmethylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate?
You can request a quote for butyl 4-[2-amino-3-(thiophen-2-ylmethylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for butyl 4-[2-amino-3-(thiophen-2-ylmethylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for butyl 4-[2-amino-3-(thiophen-2-ylmethylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.