VU0604936-1
TL;DR: VU0604936-1 (CAS 587004-27-1) is a chemical compound with molecular formula C22H20N6O2 and molecular weight 400.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1-[(E)-(2-methoxyphenyl)methylideneamino]-N-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide
Also Known As: VU0604936-1, (E)-N-allyl-2-amino-1-((2-methoxybenzylidene)amino)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, F3225-5404, 2-amino-1-[(E)-[(2-methoxyphenyl)methylidene]amino]-N-(prop-2-en-1-yl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, 2-amino-1-[(E)-(2-methoxyphenyl)methylideneamino]-N-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide
| Molecular Formula | C22H20N6O2 |
|---|---|
| Molecular Weight | 400.16 g/mol |
| LogP | 2.9733 |
| Topological Polar Surface Area | 107.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.16476 |
| Heavy Atoms | 30 |
| Complexity | 1291.7705 |
Chemical Identifiers
| CAS Number | 587004-27-1 |
|---|---|
| SMILES | COC1=CC=CC=C1/C=N/N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCC=C)N |
Product Overview
VU0604936-1 (CAS 587004-27-1), with molecular formula C22H20N6O2 and molecular weight 400.16 g/mol. IUPAC: 2-amino-1-[(E)-(2-methoxyphenyl)methylideneamino]-N-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide.
Chemical Property Profile of VU0604936-1
Property Insights of VU0604936-1
The XLogP value of 2.9733 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0604936-1. The TPSA of 107.42 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0604936-1. Following Lipinski's Rule of Five, VU0604936-1 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 VU0604936-1?
The CAS number of VU0604936-1 is 587004-27-1.
What is the molecular formula of VU0604936-1?
The molecular formula of VU0604936-1 is C22H20N6O2.
What is the molecular weight of VU0604936-1?
The molecular weight of VU0604936-1 is 400.16 g/mol.
Where can I buy VU0604936-1?
You can request a quote for VU0604936-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0604936-1?
Yes, KEHONG BIO provides custom synthesis services for VU0604936-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.