4'-nitroaurone
TL;DR: 4'-nitroaurone (CAS 83408-97-3) is a chemical compound with molecular formula C24H29N3O5 and molecular weight 439.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]propanamide
Also Known As: 4'-nitroaurone, N,N-Diethyl-alpha-methyl-4-oxo-2-(3,4,5-trimethoxyphenyl)-3(4H)-quinazolineacetamide, 3(4H)-Quinazolineacetamide, N,N-diethyl-alpha-methyl-4-oxo-2-(3,4,5-trimethoxyphenyl)-, N,N-diethyl-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]propanamide, N,N-Diethyl-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3(4H)-yl]propanamide
| Molecular Formula | C24H29N3O5 |
|---|---|
| Molecular Weight | 439.21 g/mol |
| LogP | 3.5187 |
| Topological Polar Surface Area | 82.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 439.21072 |
| Heavy Atoms | 32 |
| Complexity | 1158.9536 |
Chemical Identifiers
| CAS Number | 83408-97-3 |
|---|---|
| SMILES | CCN(CC)C(=O)C(C)N1C(=NC2=CC=CC=C2C1=O)C3=CC(=C(C(=C3)OC)OC)OC |
Product Overview
4'-nitroaurone (CAS 83408-97-3), with molecular formula C24H29N3O5 and molecular weight 439.21 g/mol. IUPAC: N,N-diethyl-2-[4-oxo-2-(3,4,5-trimethoxyphenyl)quinazolin-3-yl]propanamide.
Chemical Property Profile of 4'-nitroaurone
Property Insights of 4'-nitroaurone
The XLogP value of 3.5187 indicates that 4'-nitroaurone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 4'-nitroaurone. Following Lipinski's Rule of Five, 4'-nitroaurone has 0 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 4'-nitroaurone?
The CAS number of 4'-nitroaurone is 83408-97-3.
What is the molecular formula of 4'-nitroaurone?
The molecular formula of 4'-nitroaurone is C24H29N3O5.
What is the molecular weight of 4'-nitroaurone?
The molecular weight of 4'-nitroaurone is 439.21 g/mol.
Where can I buy 4'-nitroaurone?
You can request a quote for 4'-nitroaurone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-nitroaurone?
Yes, KEHONG BIO provides custom synthesis services for 4'-nitroaurone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.