![Dimethyl 5-{[(4-ethoxy-3-nitrophenyl)carbonyl]amino}benzene-1,3-dicarboxylate structure](/static/products/3354/335420-86-5.webp)
Dimethyl 5-{[(4-ethoxy-3-nitrophenyl)carbonyl]amino}benzene-1,3-dicarboxylate
TL;DR: Dimethyl 5-{[(4-ethoxy-3-nitrophenyl)carbonyl]amino}benzene-1,3-dicarboxylate (CAS 335420-86-5) is a chemical compound with molecular formula C19H18N2O8 and molecular weight 402.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[(4-ethoxy-3-nitrobenzoyl)amino]benzene-1,3-dicarboxylate
Also Known As: BAS 02244585, BIM-0021813.P001, dimethyl 5-(4-ethoxy-3-nitrobenzamido)isophthalate, dimethyl 5-({4-ethoxy-3-nitrobenzoyl}amino)isophthalate, dimethyl 5-{[(4-ethoxy-3-nitrophenyl)carbonyl]amino}benzene-1,3-dicarboxylate
| Molecular Formula | C19H18N2O8 |
|---|---|
| Molecular Weight | 402.11 g/mol |
| LogP | 2.819 |
| Topological Polar Surface Area | 134.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 402.10632 |
| Heavy Atoms | 29 |
| Complexity | 936.42664 |
Chemical Identifiers
| CAS Number | 335420-86-5 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)[N+](=O)[O-] |
Product Overview
Dimethyl 5-{[(4-ethoxy-3-nitrophenyl)carbonyl]amino}benzene-1,3-dicarboxylate (CAS 335420-86-5), with molecular formula C19H18N2O8 and molecular weight 402.11 g/mol. IUPAC: dimethyl 5-[(4-ethoxy-3-nitrobenzoyl)amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of Dimethyl 5-{[(4-ethoxy-3-nitrophenyl)carbonyl]amino}benzene-1,3-dicarboxylate
Property Insights of Dimethyl 5-{[(4-ethoxy-3-nitrophenyl)carbonyl]amino}benzene-1,3-dicarboxylate
The XLogP value of 2.819 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 5-{[(4-ethoxy-3-nitrophenyl)carbonyl]amino}benzene-1,3-dicarboxylate. The TPSA of 134.07 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 5-{[(4-ethoxy-3-nitrophenyl)carbonyl]amino}benzene-1,3-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 5-{[(4-ethoxy-3-nitrophenyl)carbonyl]amino}benzene-1,3-dicarboxylate has 1 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 Dimethyl 5-{[(4-ethoxy-3-nitrophenyl)carbonyl]amino}benzene-1,3-dicarboxylate?
The CAS number of Dimethyl 5-{[(4-ethoxy-3-nitrophenyl)carbonyl]amino}benzene-1,3-dicarboxylate is 335420-86-5.
What is the molecular formula of Dimethyl 5-{[(4-ethoxy-3-nitrophenyl)carbonyl]amino}benzene-1,3-dicarboxylate?
The molecular formula of Dimethyl 5-{[(4-ethoxy-3-nitrophenyl)carbonyl]amino}benzene-1,3-dicarboxylate is C19H18N2O8.
What is the molecular weight of Dimethyl 5-{[(4-ethoxy-3-nitrophenyl)carbonyl]amino}benzene-1,3-dicarboxylate?
The molecular weight of Dimethyl 5-{[(4-ethoxy-3-nitrophenyl)carbonyl]amino}benzene-1,3-dicarboxylate is 402.11 g/mol.
Where can I buy Dimethyl 5-{[(4-ethoxy-3-nitrophenyl)carbonyl]amino}benzene-1,3-dicarboxylate?
You can request a quote for Dimethyl 5-{[(4-ethoxy-3-nitrophenyl)carbonyl]amino}benzene-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 Dimethyl 5-{[(4-ethoxy-3-nitrophenyl)carbonyl]amino}benzene-1,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 5-{[(4-ethoxy-3-nitrophenyl)carbonyl]amino}benzene-1,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.