Diethyl 4,6-dinitrobenzene-1,3-dicarboxylate
TL;DR: Diethyl 4,6-dinitrobenzene-1,3-dicarboxylate (CAS 100143-85-9) is a chemical compound with molecular formula C12H12N2O8 and molecular weight 312.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 4,6-dinitrobenzene-1,3-dicarboxylate
Also Known As: diethyl 4,6-dinitroisophthalate, diethyl 4,6-dinitroisophthalate (en), diethyl 4,6-dinitrobenzene-1,3-dicarboxylate, 4,6-dinitro-isophthalic acid diethyl ester
| Molecular Formula | C12H12N2O8 |
|---|---|
| Molecular Weight | 312.06 g/mol |
| LogP | 1.8564 |
| Topological Polar Surface Area | 138.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 312.05936 |
| Heavy Atoms | 22 |
| Complexity | 589.0086 |
Chemical Identifiers
| CAS Number | 100143-85-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)OCC |
Product Overview
Diethyl 4,6-dinitrobenzene-1,3-dicarboxylate (CAS 100143-85-9), with molecular formula C12H12N2O8 and molecular weight 312.06 g/mol. IUPAC: diethyl 4,6-dinitrobenzene-1,3-dicarboxylate.
Chemical Property Profile of Diethyl 4,6-dinitrobenzene-1,3-dicarboxylate
Property Insights of Diethyl 4,6-dinitrobenzene-1,3-dicarboxylate
The XLogP value of 1.8564 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 4,6-dinitrobenzene-1,3-dicarboxylate. The TPSA of 138.88 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 4,6-dinitrobenzene-1,3-dicarboxylate. Following Lipinski's Rule of Five, Diethyl 4,6-dinitrobenzene-1,3-dicarboxylate has 0 hydrogen bond donor(s) and 8 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 4,6-dinitrobenzene-1,3-dicarboxylate?
The CAS number of Diethyl 4,6-dinitrobenzene-1,3-dicarboxylate is 100143-85-9.
What is the molecular formula of Diethyl 4,6-dinitrobenzene-1,3-dicarboxylate?
The molecular formula of Diethyl 4,6-dinitrobenzene-1,3-dicarboxylate is C12H12N2O8.
What is the molecular weight of Diethyl 4,6-dinitrobenzene-1,3-dicarboxylate?
The molecular weight of Diethyl 4,6-dinitrobenzene-1,3-dicarboxylate is 312.06 g/mol.
Where can I buy Diethyl 4,6-dinitrobenzene-1,3-dicarboxylate?
You can request a quote for Diethyl 4,6-dinitrobenzene-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 4,6-dinitrobenzene-1,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 4,6-dinitrobenzene-1,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.