(E)-3-methyl-4-(((3,4,5-trimethoxybenzoyl)oxy)imino)cyclohexa-2,5-dienone
TL;DR: (E)-3-methyl-4-(((3,4,5-trimethoxybenzoyl)oxy)imino)cyclohexa-2,5-dienone (CAS 321682-74-0) is a chemical compound with molecular formula C17H17NO6 and molecular weight 331.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-(2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 3,4,5-trimethoxybenzoate
Also Known As: (4E)-3-methyl-4-({[(3,4,5-trimethoxyphenyl)carbonyl]oxy}imino)cyclohexa-2,5-dien-1-one, (E)-3-methyl-4-(((3,4,5-trimethoxybenzoyl)oxy)imino)cyclohexa-2,5-dienone, [(1E)-2-METHYL-4-OXOCYCLOHEXA-2,5-DIEN-1-YLIDENE]AMINO 3,4,5-TRIMETHOXYBENZOATE, [(E)-(2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 3,4,5-trimethoxybenzoate
| Molecular Formula | C17H17NO6 |
|---|---|
| Molecular Weight | 331.11 g/mol |
| LogP | 2.3104 |
| Topological Polar Surface Area | 83.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 331.1056 |
| Heavy Atoms | 24 |
| Complexity | 735.3394 |
Chemical Identifiers
| CAS Number | 321682-74-0 |
|---|---|
| SMILES | CC\1=CC(=O)C=C/C1=N\OC(=O)C2=CC(=C(C(=C2)OC)OC)OC |
Product Overview
(E)-3-methyl-4-(((3,4,5-trimethoxybenzoyl)oxy)imino)cyclohexa-2,5-dienone (CAS 321682-74-0), with molecular formula C17H17NO6 and molecular weight 331.11 g/mol. IUPAC: [(E)-(2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 3,4,5-trimethoxybenzoate.
Chemical Property Profile of (E)-3-methyl-4-(((3,4,5-trimethoxybenzoyl)oxy)imino)cyclohexa-2,5-dienone
Property Insights of (E)-3-methyl-4-(((3,4,5-trimethoxybenzoyl)oxy)imino)cyclohexa-2,5-dienone
The XLogP value of 2.3104 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-methyl-4-(((3,4,5-trimethoxybenzoyl)oxy)imino)cyclohexa-2,5-dienone. The TPSA of 83.42 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-methyl-4-(((3,4,5-trimethoxybenzoyl)oxy)imino)cyclohexa-2,5-dienone. Following Lipinski's Rule of Five, (E)-3-methyl-4-(((3,4,5-trimethoxybenzoyl)oxy)imino)cyclohexa-2,5-dienone has 0 hydrogen bond donor(s) and 7 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 (E)-3-methyl-4-(((3,4,5-trimethoxybenzoyl)oxy)imino)cyclohexa-2,5-dienone?
The CAS number of (E)-3-methyl-4-(((3,4,5-trimethoxybenzoyl)oxy)imino)cyclohexa-2,5-dienone is 321682-74-0.
What is the molecular formula of (E)-3-methyl-4-(((3,4,5-trimethoxybenzoyl)oxy)imino)cyclohexa-2,5-dienone?
The molecular formula of (E)-3-methyl-4-(((3,4,5-trimethoxybenzoyl)oxy)imino)cyclohexa-2,5-dienone is C17H17NO6.
What is the molecular weight of (E)-3-methyl-4-(((3,4,5-trimethoxybenzoyl)oxy)imino)cyclohexa-2,5-dienone?
The molecular weight of (E)-3-methyl-4-(((3,4,5-trimethoxybenzoyl)oxy)imino)cyclohexa-2,5-dienone is 331.11 g/mol.
Where can I buy (E)-3-methyl-4-(((3,4,5-trimethoxybenzoyl)oxy)imino)cyclohexa-2,5-dienone?
You can request a quote for (E)-3-methyl-4-(((3,4,5-trimethoxybenzoyl)oxy)imino)cyclohexa-2,5-dienone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-methyl-4-(((3,4,5-trimethoxybenzoyl)oxy)imino)cyclohexa-2,5-dienone?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-methyl-4-(((3,4,5-trimethoxybenzoyl)oxy)imino)cyclohexa-2,5-dienone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.