diethyl 5-ethoxy-3-methyl-1-(6-nitro-1,3-benzodioxole-5-carb
TL;DR: diethyl 5-ethoxy-3-methyl-1-(6-nitro-1,3-benzodioxole-5-carb (CAS 66709-23-7) is a chemical compound with molecular formula C21H26N2O10 and molecular weight 466.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-ethoxy-3-methyl-1-(6-nitro-1,3-benzodioxole-5-carbonyl)pyrrolidine-2,2-dicarboxylate
Also Known As: diethyl 5-ethoxy-3-methyl-1-(6-nitro-1,3-benzodioxole-5-carb, Diethyl 5-ethoxy-3-methyl-1-(6-nitro-2H-1,3-benzodioxole-5-carbonyl)pyrrolidine-2,2-dicarboxylate, diethyl 5-ethoxy-3-methyl-1-(6-nitro-1,3-benzodioxole-5-carbonyl)pyrrolidine-2,2-dicarboxylate
| Molecular Formula | C21H26N2O10 |
|---|---|
| Molecular Weight | 466.16 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 466.15875 |
| Heavy Atoms | 33 |
| Complexity | 751.0 |
Chemical Identifiers
| CAS Number | 66709-23-7 |
|---|---|
| SMILES | CCOC1CC(C(N1C(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3)(C(=O)OCC)C(=O)OCC)C |
| InChIKey | QFMNMCVMAZSRSH-UHFFFAOYSA-N |
Product Overview
diethyl 5-ethoxy-3-methyl-1-(6-nitro-1,3-benzodioxole-5-carb (CAS 66709-23-7), with molecular formula C21H26N2O10 and molecular weight 466.16 g/mol. IUPAC: diethyl 5-ethoxy-3-methyl-1-(6-nitro-1,3-benzodioxole-5-carbonyl)pyrrolidine-2,2-dicarboxylate.
Chemical Property Profile of diethyl 5-ethoxy-3-methyl-1-(6-nitro-1,3-benzodioxole-5-carb
Property Insights of diethyl 5-ethoxy-3-methyl-1-(6-nitro-1,3-benzodioxole-5-carb
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for diethyl 5-ethoxy-3-methyl-1-(6-nitro-1,3-benzodioxole-5-carb. The TPSA of 146.0 Ų indicates high polarity, suggesting diethyl 5-ethoxy-3-methyl-1-(6-nitro-1,3-benzodioxole-5-carb may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, diethyl 5-ethoxy-3-methyl-1-(6-nitro-1,3-benzodioxole-5-carb has 0 hydrogen bond donor(s) and 10 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 5-ethoxy-3-methyl-1-(6-nitro-1,3-benzodioxole-5-carb?
The CAS number of diethyl 5-ethoxy-3-methyl-1-(6-nitro-1,3-benzodioxole-5-carb is 66709-23-7.
What is the molecular formula of diethyl 5-ethoxy-3-methyl-1-(6-nitro-1,3-benzodioxole-5-carb?
The molecular formula of diethyl 5-ethoxy-3-methyl-1-(6-nitro-1,3-benzodioxole-5-carb is C21H26N2O10.
What is the molecular weight of diethyl 5-ethoxy-3-methyl-1-(6-nitro-1,3-benzodioxole-5-carb?
The molecular weight of diethyl 5-ethoxy-3-methyl-1-(6-nitro-1,3-benzodioxole-5-carb is 466.16 g/mol.
Where can I buy diethyl 5-ethoxy-3-methyl-1-(6-nitro-1,3-benzodioxole-5-carb?
You can request a quote for diethyl 5-ethoxy-3-methyl-1-(6-nitro-1,3-benzodioxole-5-carb directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diethyl 5-ethoxy-3-methyl-1-(6-nitro-1,3-benzodioxole-5-carb?
Yes, KEHONG BIO provides custom synthesis services for diethyl 5-ethoxy-3-methyl-1-(6-nitro-1,3-benzodioxole-5-carb and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.