Dimethyl (4-nitrobenzylidene)malonate
TL;DR: Dimethyl (4-nitrobenzylidene)malonate (CAS 38323-22-7) is a chemical compound with molecular formula C12H11NO6 and molecular weight 265.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[(4-nitrophenyl)methylidene]propanedioate
Also Known As: Dimethyl malonate, acceptor-substituted olefin, DIMETHYL (4-NITROBENZYLIDENE)MALONATE, dimethyl 2-(4-nitrobenzylidene) malonate, Dimethyl 2-(4-nitrobenzylidene)malonate #
| Molecular Formula | C12H11NO6 |
|---|---|
| Molecular Weight | 265.06 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 98.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 265.05862 |
| Heavy Atoms | 19 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 38323-22-7 |
|---|---|
| SMILES | COC(=O)C(=CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)OC |
| InChIKey | WKQDFBKYIAEZEP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl (4-nitrobenzylidene)malonate (CAS 38323-22-7), with molecular formula C12H11NO6 and molecular weight 265.06 g/mol. IUPAC: dimethyl 2-[(4-nitrophenyl)methylidene]propanedioate.
Chemical Property Profile of Dimethyl (4-nitrobenzylidene)malonate
Property Insights of Dimethyl (4-nitrobenzylidene)malonate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl (4-nitrobenzylidene)malonate. The TPSA of 98.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl (4-nitrobenzylidene)malonate. Following Lipinski's Rule of Five, Dimethyl (4-nitrobenzylidene)malonate has 0 hydrogen bond donor(s) and 6 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 (4-nitrobenzylidene)malonate?
The CAS number of Dimethyl (4-nitrobenzylidene)malonate is 38323-22-7.
What is the molecular formula of Dimethyl (4-nitrobenzylidene)malonate?
The molecular formula of Dimethyl (4-nitrobenzylidene)malonate is C12H11NO6.
What is the molecular weight of Dimethyl (4-nitrobenzylidene)malonate?
The molecular weight of Dimethyl (4-nitrobenzylidene)malonate is 265.06 g/mol.
Where can I buy Dimethyl (4-nitrobenzylidene)malonate?
You can request a quote for Dimethyl (4-nitrobenzylidene)malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl (4-nitrobenzylidene)malonate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl (4-nitrobenzylidene)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.