6-methoxy-5-nitro-3,4-dihydro-1(2H)-naphthalenone O-(3,4,5-trimethoxybenzoyl)oxime
TL;DR: 6-methoxy-5-nitro-3,4-dihydro-1(2H)-naphthalenone O-(3,4,5-trimethoxybenzoyl)oxime (CAS 6054-51-9) is a chemical compound with molecular formula C21H22N2O8 and molecular weight 430.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-(6-methoxy-5-nitro-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 3,4,5-trimethoxybenzoate
Also Known As: 6-methoxy-5-nitro-3,4-dihydro-1(2H)-naphthalenone O-(3,4,5-trimethoxybenzoyl)oxime, [(E)-(6-methoxy-5-nitro-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 3,4,5-trimethoxybenzoate, {[(E)-(6-Methoxy-5-nitro-3,4-dihydronaphthalen-1(2H)-ylidene)amino]oxy}(3,4,5-trimethoxyphenyl)methanone
| Molecular Formula | C21H22N2O8 |
|---|---|
| Molecular Weight | 430.14 g/mol |
| LogP | 3.5266 |
| Topological Polar Surface Area | 118.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 430.1376 |
| Heavy Atoms | 31 |
| Complexity | 1022.91064 |
Chemical Identifiers
| CAS Number | 6054-51-9 |
|---|---|
| SMILES | COC1=C(C2=C(C=C1)/C(=N/OC(=O)C3=CC(=C(C(=C3)OC)OC)OC)/CCC2)[N+](=O)[O-] |
Product Overview
6-methoxy-5-nitro-3,4-dihydro-1(2H)-naphthalenone O-(3,4,5-trimethoxybenzoyl)oxime (CAS 6054-51-9), with molecular formula C21H22N2O8 and molecular weight 430.14 g/mol. IUPAC: [(E)-(6-methoxy-5-nitro-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 3,4,5-trimethoxybenzoate.
Chemical Property Profile of 6-methoxy-5-nitro-3,4-dihydro-1(2H)-naphthalenone O-(3,4,5-trimethoxybenzoyl)oxime
Property Insights of 6-methoxy-5-nitro-3,4-dihydro-1(2H)-naphthalenone O-(3,4,5-trimethoxybenzoyl)oxime
The XLogP value of 3.5266 indicates that 6-methoxy-5-nitro-3,4-dihydro-1(2H)-naphthalenone O-(3,4,5-trimethoxybenzoyl)oxime is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-methoxy-5-nitro-3,4-dihydro-1(2H)-naphthalenone O-(3,4,5-trimethoxybenzoyl)oxime. Following Lipinski's Rule of Five, 6-methoxy-5-nitro-3,4-dihydro-1(2H)-naphthalenone O-(3,4,5-trimethoxybenzoyl)oxime has 0 hydrogen bond donor(s) and 9 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 6-methoxy-5-nitro-3,4-dihydro-1(2H)-naphthalenone O-(3,4,5-trimethoxybenzoyl)oxime?
The CAS number of 6-methoxy-5-nitro-3,4-dihydro-1(2H)-naphthalenone O-(3,4,5-trimethoxybenzoyl)oxime is 6054-51-9.
What is the molecular formula of 6-methoxy-5-nitro-3,4-dihydro-1(2H)-naphthalenone O-(3,4,5-trimethoxybenzoyl)oxime?
The molecular formula of 6-methoxy-5-nitro-3,4-dihydro-1(2H)-naphthalenone O-(3,4,5-trimethoxybenzoyl)oxime is C21H22N2O8.
What is the molecular weight of 6-methoxy-5-nitro-3,4-dihydro-1(2H)-naphthalenone O-(3,4,5-trimethoxybenzoyl)oxime?
The molecular weight of 6-methoxy-5-nitro-3,4-dihydro-1(2H)-naphthalenone O-(3,4,5-trimethoxybenzoyl)oxime is 430.14 g/mol.
Where can I buy 6-methoxy-5-nitro-3,4-dihydro-1(2H)-naphthalenone O-(3,4,5-trimethoxybenzoyl)oxime?
You can request a quote for 6-methoxy-5-nitro-3,4-dihydro-1(2H)-naphthalenone O-(3,4,5-trimethoxybenzoyl)oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-methoxy-5-nitro-3,4-dihydro-1(2H)-naphthalenone O-(3,4,5-trimethoxybenzoyl)oxime?
Yes, KEHONG BIO provides custom synthesis services for 6-methoxy-5-nitro-3,4-dihydro-1(2H)-naphthalenone O-(3,4,5-trimethoxybenzoyl)oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.