Propanedioic acid, ((5-nitro-2-furanyl)methylene)-, diethyl ester
TL;DR: Propanedioic acid, ((5-nitro-2-furanyl)methylene)-, diethyl ester (CAS 69513-13-9) is a chemical compound with molecular formula C12H13NO7 and molecular weight 283.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(5-nitrofuran-2-yl)methylidene]propanedioate
Also Known As: diethyl[(5-nitro-2-furyl)methylene]malonate, J1.036.471J, Diethyl ((5-nitro-2-furanyl)methylene)propanedioate, 1,1-Bis(ethoxycarbonyl)-2-(5-nitro-2-furyl)ethylene, diethyl 2-({5-nitro-2-furyl}methylene)malonate
| Molecular Formula | C12H13NO7 |
|---|---|
| Molecular Weight | 283.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 283.0692 |
| Heavy Atoms | 20 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 69513-13-9 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=CC=C(O1)[N+](=O)[O-])C(=O)OCC |
| InChIKey | HZCMOCLXXIOKRG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanedioic acid, ((5-nitro-2-furanyl)methylene)-, diethyl ester (CAS 69513-13-9), with molecular formula C12H13NO7 and molecular weight 283.07 g/mol. IUPAC: diethyl 2-[(5-nitrofuran-2-yl)methylidene]propanedioate.
Chemical Property Profile of Propanedioic acid, ((5-nitro-2-furanyl)methylene)-, diethyl ester
Property Insights of Propanedioic acid, ((5-nitro-2-furanyl)methylene)-, diethyl ester
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanedioic acid, ((5-nitro-2-furanyl)methylene)-, diethyl ester. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanedioic acid, ((5-nitro-2-furanyl)methylene)-, diethyl ester. Following Lipinski's Rule of Five, Propanedioic acid, ((5-nitro-2-furanyl)methylene)-, diethyl ester has 0 hydrogen bond donor(s) and 7 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 Propanedioic acid, ((5-nitro-2-furanyl)methylene)-, diethyl ester?
The CAS number of Propanedioic acid, ((5-nitro-2-furanyl)methylene)-, diethyl ester is 69513-13-9.
What is the molecular formula of Propanedioic acid, ((5-nitro-2-furanyl)methylene)-, diethyl ester?
The molecular formula of Propanedioic acid, ((5-nitro-2-furanyl)methylene)-, diethyl ester is C12H13NO7.
What is the molecular weight of Propanedioic acid, ((5-nitro-2-furanyl)methylene)-, diethyl ester?
The molecular weight of Propanedioic acid, ((5-nitro-2-furanyl)methylene)-, diethyl ester is 283.07 g/mol.
Where can I buy Propanedioic acid, ((5-nitro-2-furanyl)methylene)-, diethyl ester?
You can request a quote for Propanedioic acid, ((5-nitro-2-furanyl)methylene)-, diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanedioic acid, ((5-nitro-2-furanyl)methylene)-, diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanedioic acid, ((5-nitro-2-furanyl)methylene)-, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.