![(E)-methyl 4-(((2-amino-3-((4-fluorobenzyl)carbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)imino)methyl)benzoate structure](/static/products/836/836639-01-1.png)
(E)-methyl 4-(((2-amino-3-((4-fluorobenzyl)carbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)imino)methyl)benzoate
TL;DR: (E)-methyl 4-(((2-amino-3-((4-fluorobenzyl)carbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)imino)methyl)benzoate (CAS 836639-01-1) is a chemical compound with molecular formula C27H21FN6O3 and molecular weight 496.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(E)-[2-amino-3-[(4-fluorophenyl)methylcarbamoyl]pyrrolo[3,2-b]quinoxalin-1-yl]iminomethyl]benzoate
Also Known As: (E)-methyl 4-(((2-amino-3-((4-fluorobenzyl)carbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)imino)methyl)benzoate, methyl 4-[(E)-({2-amino-3-[(4-fluorobenzyl)carbamoyl]-1H-pyrrolo[2,3-b]quinoxalin-1-yl}imino)methyl]benzoate, methyl 4-[(E)-[2-amino-3-[(4-fluorophenyl)methylcarbamoyl]pyrrolo[3,2-b]quinoxalin-1-yl]iminomethyl]benzoate
| Molecular Formula | C27H21FN6O3 |
|---|---|
| Molecular Weight | 496.17 g/mol |
| LogP | 3.9046 |
| Topological Polar Surface Area | 124.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 496.16592 |
| Heavy Atoms | 37 |
| Complexity | 1660.5333 |
Chemical Identifiers
| CAS Number | 836639-01-1 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)/C=N/N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCC5=CC=C(C=C5)F)N |
Product Overview
(E)-methyl 4-(((2-amino-3-((4-fluorobenzyl)carbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)imino)methyl)benzoate (CAS 836639-01-1), with molecular formula C27H21FN6O3 and molecular weight 496.17 g/mol. IUPAC: methyl 4-[(E)-[2-amino-3-[(4-fluorophenyl)methylcarbamoyl]pyrrolo[3,2-b]quinoxalin-1-yl]iminomethyl]benzoate.
Chemical Property Profile of (E)-methyl 4-(((2-amino-3-((4-fluorobenzyl)carbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)imino)methyl)benzoate
Property Insights of (E)-methyl 4-(((2-amino-3-((4-fluorobenzyl)carbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)imino)methyl)benzoate
The XLogP value of 3.9046 indicates that (E)-methyl 4-(((2-amino-3-((4-fluorobenzyl)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-((4-fluorobenzyl)carbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)imino)methyl)benzoate. Following Lipinski's Rule of Five, (E)-methyl 4-(((2-amino-3-((4-fluorobenzyl)carbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)imino)methyl)benzoate has 2 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 (E)-methyl 4-(((2-amino-3-((4-fluorobenzyl)carbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)imino)methyl)benzoate?
The CAS number of (E)-methyl 4-(((2-amino-3-((4-fluorobenzyl)carbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)imino)methyl)benzoate is 836639-01-1.
What is the molecular formula of (E)-methyl 4-(((2-amino-3-((4-fluorobenzyl)carbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)imino)methyl)benzoate?
The molecular formula of (E)-methyl 4-(((2-amino-3-((4-fluorobenzyl)carbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)imino)methyl)benzoate is C27H21FN6O3.
What is the molecular weight of (E)-methyl 4-(((2-amino-3-((4-fluorobenzyl)carbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)imino)methyl)benzoate?
The molecular weight of (E)-methyl 4-(((2-amino-3-((4-fluorobenzyl)carbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)imino)methyl)benzoate is 496.17 g/mol.
Where can I buy (E)-methyl 4-(((2-amino-3-((4-fluorobenzyl)carbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)imino)methyl)benzoate?
You can request a quote for (E)-methyl 4-(((2-amino-3-((4-fluorobenzyl)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-((4-fluorobenzyl)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-((4-fluorobenzyl)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.