![2-amino-N-[(4-fluorophenyl)methyl]-1-[(E)-[(thiophen-2-yl)methylidene]amino]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide structure](/static/products/836/836640-75-6.png)
2-amino-N-[(4-fluorophenyl)methyl]-1-[(E)-[(thiophen-2-yl)methylidene]amino]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
TL;DR: 2-amino-N-[(4-fluorophenyl)methyl]-1-[(E)-[(thiophen-2-yl)methylidene]amino]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide (CAS 836640-75-6) is a chemical compound with molecular formula C23H17FN6OS and molecular weight 444.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-N-[(4-fluorophenyl)methyl]-1-[(E)-thiophen-2-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
Also Known As: 2-amino-N-[(4-fluorophenyl)methyl]-1-[(E)-[(thiophen-2-yl)methylidene]amino]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, F3225-5156, (E)-2-amino-N-(4-fluorobenzyl)-1-((thiophen-2-ylmethylene)amino)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, 2-amino-N-(4-fluorobenzyl)-1-{[(E)-thiophen-2-ylmethylidene]amino}-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, 2-amino-N-[(4-fluorophenyl)methyl]-1-[(E)-thiophen-2-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
| Molecular Formula | C23H17FN6OS |
|---|---|
| Molecular Weight | 444.12 g/mol |
| LogP | 4.1795 |
| Topological Polar Surface Area | 98.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 444.11685 |
| Heavy Atoms | 32 |
| Complexity | 1457.9608 |
Chemical Identifiers
| CAS Number | 836640-75-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C3C(=C(N(C3=N2)/N=C/C4=CC=CS4)N)C(=O)NCC5=CC=C(C=C5)F |
Product Overview
2-amino-N-[(4-fluorophenyl)methyl]-1-[(E)-[(thiophen-2-yl)methylidene]amino]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide (CAS 836640-75-6), with molecular formula C23H17FN6OS and molecular weight 444.12 g/mol. IUPAC: 2-amino-N-[(4-fluorophenyl)methyl]-1-[(E)-thiophen-2-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide.
Chemical Property Profile of 2-amino-N-[(4-fluorophenyl)methyl]-1-[(E)-[(thiophen-2-yl)methylidene]amino]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Property Insights of 2-amino-N-[(4-fluorophenyl)methyl]-1-[(E)-[(thiophen-2-yl)methylidene]amino]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
The XLogP value of 4.1795 indicates that 2-amino-N-[(4-fluorophenyl)methyl]-1-[(E)-[(thiophen-2-yl)methylidene]amino]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-N-[(4-fluorophenyl)methyl]-1-[(E)-[(thiophen-2-yl)methylidene]amino]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide. Following Lipinski's Rule of Five, 2-amino-N-[(4-fluorophenyl)methyl]-1-[(E)-[(thiophen-2-yl)methylidene]amino]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide 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 2-amino-N-[(4-fluorophenyl)methyl]-1-[(E)-[(thiophen-2-yl)methylidene]amino]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide?
The CAS number of 2-amino-N-[(4-fluorophenyl)methyl]-1-[(E)-[(thiophen-2-yl)methylidene]amino]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide is 836640-75-6.
What is the molecular formula of 2-amino-N-[(4-fluorophenyl)methyl]-1-[(E)-[(thiophen-2-yl)methylidene]amino]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide?
The molecular formula of 2-amino-N-[(4-fluorophenyl)methyl]-1-[(E)-[(thiophen-2-yl)methylidene]amino]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide is C23H17FN6OS.
What is the molecular weight of 2-amino-N-[(4-fluorophenyl)methyl]-1-[(E)-[(thiophen-2-yl)methylidene]amino]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide?
The molecular weight of 2-amino-N-[(4-fluorophenyl)methyl]-1-[(E)-[(thiophen-2-yl)methylidene]amino]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide is 444.12 g/mol.
Where can I buy 2-amino-N-[(4-fluorophenyl)methyl]-1-[(E)-[(thiophen-2-yl)methylidene]amino]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide?
You can request a quote for 2-amino-N-[(4-fluorophenyl)methyl]-1-[(E)-[(thiophen-2-yl)methylidene]amino]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-amino-N-[(4-fluorophenyl)methyl]-1-[(E)-[(thiophen-2-yl)methylidene]amino]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-N-[(4-fluorophenyl)methyl]-1-[(E)-[(thiophen-2-yl)methylidene]amino]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.