![(E)-methyl 4-(((2-amino-3-((3-isopropoxypropyl)carbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)imino)methyl)benzoate structure](/static/products/586/586998-52-9.png)
(E)-methyl 4-(((2-amino-3-((3-isopropoxypropyl)carbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)imino)methyl)benzoate
TL;DR: (E)-methyl 4-(((2-amino-3-((3-isopropoxypropyl)carbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)imino)methyl)benzoate (CAS 586998-52-9) is a chemical compound with molecular formula C26H28N6O4 and molecular weight 488.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(E)-[2-amino-3-(3-propan-2-yloxypropylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]iminomethyl]benzoate
Also Known As: (E)-methyl 4-(((2-amino-3-((3-isopropoxypropyl)carbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)imino)methyl)benzoate, methyl 4-[(E)-[2-amino-3-(3-propan-2-yloxypropylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]iminomethyl]benzoate, methyl 4-{(E)-[(2-amino-3-{[3-(propan-2-yloxy)propyl]carbamoyl}-1H-pyrrolo[2,3-b]quinoxalin-1-yl)imino]methyl}benzoate
| Molecular Formula | C26H28N6O4 |
|---|---|
| Molecular Weight | 488.22 g/mol |
| LogP | 3.3804 |
| Topological Polar Surface Area | 133.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 488.2172 |
| Heavy Atoms | 36 |
| Complexity | 1426.175 |
Chemical Identifiers
| CAS Number | 586998-52-9 |
|---|---|
| SMILES | CC(C)OCCCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)/N=C/C4=CC=C(C=C4)C(=O)OC)N |
Product Overview
(E)-methyl 4-(((2-amino-3-((3-isopropoxypropyl)carbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)imino)methyl)benzoate (CAS 586998-52-9), with molecular formula C26H28N6O4 and molecular weight 488.22 g/mol. IUPAC: methyl 4-[(E)-[2-amino-3-(3-propan-2-yloxypropylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]iminomethyl]benzoate.
Chemical Property Profile of (E)-methyl 4-(((2-amino-3-((3-isopropoxypropyl)carbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)imino)methyl)benzoate
Property Insights of (E)-methyl 4-(((2-amino-3-((3-isopropoxypropyl)carbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)imino)methyl)benzoate
The XLogP value of 3.3804 indicates that (E)-methyl 4-(((2-amino-3-((3-isopropoxypropyl)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 133.72 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 4-(((2-amino-3-((3-isopropoxypropyl)carbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)imino)methyl)benzoate. Following Lipinski's Rule of Five, (E)-methyl 4-(((2-amino-3-((3-isopropoxypropyl)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-((3-isopropoxypropyl)carbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)imino)methyl)benzoate?
The CAS number of (E)-methyl 4-(((2-amino-3-((3-isopropoxypropyl)carbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)imino)methyl)benzoate is 586998-52-9.
What is the molecular formula of (E)-methyl 4-(((2-amino-3-((3-isopropoxypropyl)carbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)imino)methyl)benzoate?
The molecular formula of (E)-methyl 4-(((2-amino-3-((3-isopropoxypropyl)carbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)imino)methyl)benzoate is C26H28N6O4.
What is the molecular weight of (E)-methyl 4-(((2-amino-3-((3-isopropoxypropyl)carbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)imino)methyl)benzoate?
The molecular weight of (E)-methyl 4-(((2-amino-3-((3-isopropoxypropyl)carbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)imino)methyl)benzoate is 488.22 g/mol.
Where can I buy (E)-methyl 4-(((2-amino-3-((3-isopropoxypropyl)carbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl)imino)methyl)benzoate?
You can request a quote for (E)-methyl 4-(((2-amino-3-((3-isopropoxypropyl)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-((3-isopropoxypropyl)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-((3-isopropoxypropyl)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.