![(E)-methyl 4-(((2-amino-3-((thiophen-2-ylmethyl)carbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)imino)methyl)benzoate structure](/static/products/577/577996-59-9.png)
(E)-methyl 4-(((2-amino-3-((thiophen-2-ylmethyl)carbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)imino)methyl)benzoate
TL;DR: (E)-methyl 4-(((2-amino-3-((thiophen-2-ylmethyl)carbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)imino)methyl)benzoate (CAS 577996-59-9) is a chemical compound with molecular formula C25H20N6O3S and molecular weight 484.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(E)-[2-amino-3-(thiophen-2-ylmethylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]iminomethyl]benzoate
Also Known As: (E)-methyl 4-(((2-amino-3-((thiophen-2-ylmethyl)carbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)imino)methyl)benzoate, methyl 4-[(E)-({2-amino-3-[(thiophen-2-ylmethyl)carbamoyl]-1H-pyrrolo[2,3-b]quinoxalin-1-yl}imino)methyl]benzoate, methyl 4-[(E)-[2-amino-3-(thiophen-2-ylmethylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]iminomethyl]benzoate
| Molecular Formula | C25H20N6O3S |
|---|---|
| Molecular Weight | 484.13 g/mol |
| LogP | 3.827 |
| Topological Polar Surface Area | 124.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 484.13177 |
| Heavy Atoms | 35 |
| Complexity | 1572.9263 |
Chemical Identifiers
| CAS Number | 577996-59-9 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)/C=N/N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCC5=CC=CS5)N |
Product Overview
(E)-methyl 4-(((2-amino-3-((thiophen-2-ylmethyl)carbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)imino)methyl)benzoate (CAS 577996-59-9), with molecular formula C25H20N6O3S and molecular weight 484.13 g/mol. IUPAC: methyl 4-[(E)-[2-amino-3-(thiophen-2-ylmethylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]iminomethyl]benzoate.
Chemical Property Profile of (E)-methyl 4-(((2-amino-3-((thiophen-2-ylmethyl)carbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)imino)methyl)benzoate
Property Insights of (E)-methyl 4-(((2-amino-3-((thiophen-2-ylmethyl)carbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)imino)methyl)benzoate
The XLogP value of 3.827 indicates that (E)-methyl 4-(((2-amino-3-((thiophen-2-ylmethyl)carbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)imino)methyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.49 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 4-(((2-amino-3-((thiophen-2-ylmethyl)carbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)imino)methyl)benzoate. Following Lipinski's Rule of Five, (E)-methyl 4-(((2-amino-3-((thiophen-2-ylmethyl)carbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)imino)methyl)benzoate has 2 hydrogen bond donor(s) and 8 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 (E)-methyl 4-(((2-amino-3-((thiophen-2-ylmethyl)carbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)imino)methyl)benzoate?
The CAS number of (E)-methyl 4-(((2-amino-3-((thiophen-2-ylmethyl)carbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)imino)methyl)benzoate is 577996-59-9.
What is the molecular formula of (E)-methyl 4-(((2-amino-3-((thiophen-2-ylmethyl)carbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)imino)methyl)benzoate?
The molecular formula of (E)-methyl 4-(((2-amino-3-((thiophen-2-ylmethyl)carbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)imino)methyl)benzoate is C25H20N6O3S.
What is the molecular weight of (E)-methyl 4-(((2-amino-3-((thiophen-2-ylmethyl)carbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)imino)methyl)benzoate?
The molecular weight of (E)-methyl 4-(((2-amino-3-((thiophen-2-ylmethyl)carbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)imino)methyl)benzoate is 484.13 g/mol.
Where can I buy (E)-methyl 4-(((2-amino-3-((thiophen-2-ylmethyl)carbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)imino)methyl)benzoate?
You can request a quote for (E)-methyl 4-(((2-amino-3-((thiophen-2-ylmethyl)carbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)imino)methyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-methyl 4-(((2-amino-3-((thiophen-2-ylmethyl)carbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)imino)methyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 4-(((2-amino-3-((thiophen-2-ylmethyl)carbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)imino)methyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.