diethyl 6-methyl-4-(3-nitroanilino)-2-(3-nitrophenyl)cyclohexa-3,5-diene-1,3-dicarboxylate
TL;DR: diethyl 6-methyl-4-(3-nitroanilino)-2-(3-nitrophenyl)cyclohexa-3,5-diene-1,3-dicarboxylate (CAS 330217-07-7) is a chemical compound with molecular formula C25H25N3O8 and molecular weight 495.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 6-methyl-4-(3-nitroanilino)-2-(3-nitrophenyl)cyclohexa-3,5-diene-1,3-dicarboxylate
Also Known As: diethyl 6-methyl-4-(3-nitroanilino)-2-(3-nitrophenyl)cyclohexa-3,5-diene-1,3-dicarboxylate, diethyl 3-methyl-3'-nitro-5-((3-nitrophenyl)amino)-1,2-dihydro-[1,1'-biphenyl]-2,6-dicarboxylate, Diethyl 4-methyl-6-(3-nitrophenyl)-2-[(3-nitrophenyl)amino]cyclohexa-1,3-diene-1,5-dicarboxylate, diethyl 6-methyl-2-(3-nitrophenyl)-4-[(3-nitrophenyl)amino]cyclohexa-3,5-diene-1,3-dicarboxylate
| Molecular Formula | C25H25N3O8 |
|---|---|
| Molecular Weight | 495.16 g/mol |
| LogP | 4.6551 |
| Topological Polar Surface Area | 150.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 495.16415 |
| Heavy Atoms | 36 |
| Complexity | 1267.4556 |
Chemical Identifiers
| CAS Number | 330217-07-7 |
|---|---|
| SMILES | CCOC(=O)C1C(C(=C(C=C1C)NC2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
diethyl 6-methyl-4-(3-nitroanilino)-2-(3-nitrophenyl)cyclohexa-3,5-diene-1,3-dicarboxylate (CAS 330217-07-7), with molecular formula C25H25N3O8 and molecular weight 495.16 g/mol. IUPAC: diethyl 6-methyl-4-(3-nitroanilino)-2-(3-nitrophenyl)cyclohexa-3,5-diene-1,3-dicarboxylate.
Chemical Property Profile of diethyl 6-methyl-4-(3-nitroanilino)-2-(3-nitrophenyl)cyclohexa-3,5-diene-1,3-dicarboxylate
Property Insights of diethyl 6-methyl-4-(3-nitroanilino)-2-(3-nitrophenyl)cyclohexa-3,5-diene-1,3-dicarboxylate
The XLogP value of 4.6551 indicates that diethyl 6-methyl-4-(3-nitroanilino)-2-(3-nitrophenyl)cyclohexa-3,5-diene-1,3-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 150.91 Ų indicates high polarity, suggesting diethyl 6-methyl-4-(3-nitroanilino)-2-(3-nitrophenyl)cyclohexa-3,5-diene-1,3-dicarboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, diethyl 6-methyl-4-(3-nitroanilino)-2-(3-nitrophenyl)cyclohexa-3,5-diene-1,3-dicarboxylate has 1 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 diethyl 6-methyl-4-(3-nitroanilino)-2-(3-nitrophenyl)cyclohexa-3,5-diene-1,3-dicarboxylate?
The CAS number of diethyl 6-methyl-4-(3-nitroanilino)-2-(3-nitrophenyl)cyclohexa-3,5-diene-1,3-dicarboxylate is 330217-07-7.
What is the molecular formula of diethyl 6-methyl-4-(3-nitroanilino)-2-(3-nitrophenyl)cyclohexa-3,5-diene-1,3-dicarboxylate?
The molecular formula of diethyl 6-methyl-4-(3-nitroanilino)-2-(3-nitrophenyl)cyclohexa-3,5-diene-1,3-dicarboxylate is C25H25N3O8.
What is the molecular weight of diethyl 6-methyl-4-(3-nitroanilino)-2-(3-nitrophenyl)cyclohexa-3,5-diene-1,3-dicarboxylate?
The molecular weight of diethyl 6-methyl-4-(3-nitroanilino)-2-(3-nitrophenyl)cyclohexa-3,5-diene-1,3-dicarboxylate is 495.16 g/mol.
Where can I buy diethyl 6-methyl-4-(3-nitroanilino)-2-(3-nitrophenyl)cyclohexa-3,5-diene-1,3-dicarboxylate?
You can request a quote for diethyl 6-methyl-4-(3-nitroanilino)-2-(3-nitrophenyl)cyclohexa-3,5-diene-1,3-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diethyl 6-methyl-4-(3-nitroanilino)-2-(3-nitrophenyl)cyclohexa-3,5-diene-1,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 6-methyl-4-(3-nitroanilino)-2-(3-nitrophenyl)cyclohexa-3,5-diene-1,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.