![3-[2-azaniumyl-3-(3-methylbutoxycarbonyl)pyrrolo[3,2-b]quinoxalin-1-yl]phenolate structure](/static/products/836/836645-79-5.png)
3-[2-azaniumyl-3-(3-methylbutoxycarbonyl)pyrrolo[3,2-b]quinoxalin-1-yl]phenolate
TL;DR: 3-[2-azaniumyl-3-(3-methylbutoxycarbonyl)pyrrolo[3,2-b]quinoxalin-1-yl]phenolate (CAS 836645-79-5) is a chemical compound with molecular formula C22H22N4O3 and molecular weight 390.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbutyl 2-amino-1-(3-hydroxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
Also Known As: 3-[2-azaniumyl-3-(3-methylbutoxycarbonyl)pyrrolo[3,2-b]quinoxalin-1-yl]phenolate, 3-{2-ammonio-3-[(3-methylbutoxy)carbonyl]-1H-pyrrolo[2,3-b]quinoxalin-1-yl}phenolate, 3-methylbutyl 2-amino-1-(3-hydroxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate, isopentyl 2-amino-1-(3-hydroxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
| Molecular Formula | C22H22N4O3 |
|---|---|
| Molecular Weight | 390.17 g/mol |
| LogP | 4.0644 |
| Topological Polar Surface Area | 103.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.1692 |
| Heavy Atoms | 29 |
| Complexity | 1213.6093 |
Chemical Identifiers
| CAS Number | 836645-79-5 |
|---|---|
| SMILES | CC(C)CCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC(=CC=C4)O)N |
Product Overview
3-[2-azaniumyl-3-(3-methylbutoxycarbonyl)pyrrolo[3,2-b]quinoxalin-1-yl]phenolate (CAS 836645-79-5), with molecular formula C22H22N4O3 and molecular weight 390.17 g/mol. IUPAC: 3-methylbutyl 2-amino-1-(3-hydroxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.
Chemical Property Profile of 3-[2-azaniumyl-3-(3-methylbutoxycarbonyl)pyrrolo[3,2-b]quinoxalin-1-yl]phenolate
Property Insights of 3-[2-azaniumyl-3-(3-methylbutoxycarbonyl)pyrrolo[3,2-b]quinoxalin-1-yl]phenolate
The XLogP value of 4.0644 indicates that 3-[2-azaniumyl-3-(3-methylbutoxycarbonyl)pyrrolo[3,2-b]quinoxalin-1-yl]phenolate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[2-azaniumyl-3-(3-methylbutoxycarbonyl)pyrrolo[3,2-b]quinoxalin-1-yl]phenolate. Following Lipinski's Rule of Five, 3-[2-azaniumyl-3-(3-methylbutoxycarbonyl)pyrrolo[3,2-b]quinoxalin-1-yl]phenolate has 2 hydrogen bond donor(s) and 6 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 3-[2-azaniumyl-3-(3-methylbutoxycarbonyl)pyrrolo[3,2-b]quinoxalin-1-yl]phenolate?
The CAS number of 3-[2-azaniumyl-3-(3-methylbutoxycarbonyl)pyrrolo[3,2-b]quinoxalin-1-yl]phenolate is 836645-79-5.
What is the molecular formula of 3-[2-azaniumyl-3-(3-methylbutoxycarbonyl)pyrrolo[3,2-b]quinoxalin-1-yl]phenolate?
The molecular formula of 3-[2-azaniumyl-3-(3-methylbutoxycarbonyl)pyrrolo[3,2-b]quinoxalin-1-yl]phenolate is C22H22N4O3.
What is the molecular weight of 3-[2-azaniumyl-3-(3-methylbutoxycarbonyl)pyrrolo[3,2-b]quinoxalin-1-yl]phenolate?
The molecular weight of 3-[2-azaniumyl-3-(3-methylbutoxycarbonyl)pyrrolo[3,2-b]quinoxalin-1-yl]phenolate is 390.17 g/mol.
Where can I buy 3-[2-azaniumyl-3-(3-methylbutoxycarbonyl)pyrrolo[3,2-b]quinoxalin-1-yl]phenolate?
You can request a quote for 3-[2-azaniumyl-3-(3-methylbutoxycarbonyl)pyrrolo[3,2-b]quinoxalin-1-yl]phenolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[2-azaniumyl-3-(3-methylbutoxycarbonyl)pyrrolo[3,2-b]quinoxalin-1-yl]phenolate?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-azaniumyl-3-(3-methylbutoxycarbonyl)pyrrolo[3,2-b]quinoxalin-1-yl]phenolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.