diethyl 5-hydroxy-1-(6-nitro-1,3-benzodioxole-5-carbonyl)pyr
TL;DR: diethyl 5-hydroxy-1-(6-nitro-1,3-benzodioxole-5-carbonyl)pyr (CAS 66709-19-1) is a chemical compound with molecular formula C18H20N2O10 and molecular weight 424.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-hydroxy-1-(6-nitro-1,3-benzodioxole-5-carbonyl)pyrrolidine-2,2-dicarboxylate
Also Known As: diethyl 5-hydroxy-1-(6-nitro-1,3-benzodioxole-5-carbonyl)pyr, Diethyl 5-hydroxy-1-(6-nitro-2H-1,3-benzodioxole-5-carbonyl)pyrrolidine-2,2-dicarboxylate, diethyl 5-hydroxy-1-(6-nitro-1,3-benzodioxole-5-carbonyl)pyrrolidine-2,2-dicarboxylate
| Molecular Formula | C18H20N2O10 |
|---|---|
| Molecular Weight | 424.11 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 157.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 424.1118 |
| Heavy Atoms | 30 |
| Complexity | 690.0 |
Chemical Identifiers
| CAS Number | 66709-19-1 |
|---|---|
| SMILES | CCOC(=O)C1(CCC(N1C(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3)O)C(=O)OCC |
| InChIKey | JXLHLGFCIVXGQK-UHFFFAOYSA-N |
Product Overview
diethyl 5-hydroxy-1-(6-nitro-1,3-benzodioxole-5-carbonyl)pyr (CAS 66709-19-1), with molecular formula C18H20N2O10 and molecular weight 424.11 g/mol. IUPAC: diethyl 5-hydroxy-1-(6-nitro-1,3-benzodioxole-5-carbonyl)pyrrolidine-2,2-dicarboxylate.
Chemical Property Profile of diethyl 5-hydroxy-1-(6-nitro-1,3-benzodioxole-5-carbonyl)pyr
Property Insights of diethyl 5-hydroxy-1-(6-nitro-1,3-benzodioxole-5-carbonyl)pyr
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for diethyl 5-hydroxy-1-(6-nitro-1,3-benzodioxole-5-carbonyl)pyr. The TPSA of 157.0 Ų indicates high polarity, suggesting diethyl 5-hydroxy-1-(6-nitro-1,3-benzodioxole-5-carbonyl)pyr may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, diethyl 5-hydroxy-1-(6-nitro-1,3-benzodioxole-5-carbonyl)pyr has 1 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-hydroxy-1-(6-nitro-1,3-benzodioxole-5-carbonyl)pyr?
The CAS number of diethyl 5-hydroxy-1-(6-nitro-1,3-benzodioxole-5-carbonyl)pyr is 66709-19-1.
What is the molecular formula of diethyl 5-hydroxy-1-(6-nitro-1,3-benzodioxole-5-carbonyl)pyr?
The molecular formula of diethyl 5-hydroxy-1-(6-nitro-1,3-benzodioxole-5-carbonyl)pyr is C18H20N2O10.
What is the molecular weight of diethyl 5-hydroxy-1-(6-nitro-1,3-benzodioxole-5-carbonyl)pyr?
The molecular weight of diethyl 5-hydroxy-1-(6-nitro-1,3-benzodioxole-5-carbonyl)pyr is 424.11 g/mol.
Where can I buy diethyl 5-hydroxy-1-(6-nitro-1,3-benzodioxole-5-carbonyl)pyr?
You can request a quote for diethyl 5-hydroxy-1-(6-nitro-1,3-benzodioxole-5-carbonyl)pyr directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diethyl 5-hydroxy-1-(6-nitro-1,3-benzodioxole-5-carbonyl)pyr?
Yes, KEHONG BIO provides custom synthesis services for diethyl 5-hydroxy-1-(6-nitro-1,3-benzodioxole-5-carbonyl)pyr and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.