Dimethyl (alpha-amino-3-nitrobenzylidene)malonate
TL;DR: Dimethyl (alpha-amino-3-nitrobenzylidene)malonate (CAS 113293-76-8) is a chemical compound with molecular formula C12H12N2O6 and molecular weight 280.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[amino-(3-nitrophenyl)methylidene]propanedioate
Also Known As: dimethyl (amino(3-nitrophenyl)methylene)propanedioate, dimethyl (alpha-amino-3-nitrobenzylidene)malonate, dimethyl (alpha-amino-3-nitrobenzylidene)-malonate, Dimethyl 2-[amino-(3-nitrophenyl)methylidene]propanedioate
| Molecular Formula | C12H12N2O6 |
|---|---|
| Molecular Weight | 280.07 g/mol |
| LogP | 0.6106 |
| Topological Polar Surface Area | 121.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 280.06955 |
| Heavy Atoms | 20 |
| Complexity | 575.3653 |
Chemical Identifiers
| CAS Number | 113293-76-8 |
|---|---|
| SMILES | COC(=O)C(=C(C1=CC(=CC=C1)[N+](=O)[O-])N)C(=O)OC |
Product Overview
Dimethyl (alpha-amino-3-nitrobenzylidene)malonate (CAS 113293-76-8), with molecular formula C12H12N2O6 and molecular weight 280.07 g/mol. IUPAC: dimethyl 2-[amino-(3-nitrophenyl)methylidene]propanedioate.
Chemical Property Profile of Dimethyl (alpha-amino-3-nitrobenzylidene)malonate
Property Insights of Dimethyl (alpha-amino-3-nitrobenzylidene)malonate
The XLogP value of 0.6106 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl (alpha-amino-3-nitrobenzylidene)malonate. The TPSA of 121.76 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl (alpha-amino-3-nitrobenzylidene)malonate. Following Lipinski's Rule of Five, Dimethyl (alpha-amino-3-nitrobenzylidene)malonate has 1 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 Dimethyl (alpha-amino-3-nitrobenzylidene)malonate?
The CAS number of Dimethyl (alpha-amino-3-nitrobenzylidene)malonate is 113293-76-8.
What is the molecular formula of Dimethyl (alpha-amino-3-nitrobenzylidene)malonate?
The molecular formula of Dimethyl (alpha-amino-3-nitrobenzylidene)malonate is C12H12N2O6.
What is the molecular weight of Dimethyl (alpha-amino-3-nitrobenzylidene)malonate?
The molecular weight of Dimethyl (alpha-amino-3-nitrobenzylidene)malonate is 280.07 g/mol.
Where can I buy Dimethyl (alpha-amino-3-nitrobenzylidene)malonate?
You can request a quote for Dimethyl (alpha-amino-3-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 (alpha-amino-3-nitrobenzylidene)malonate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl (alpha-amino-3-nitrobenzylidene)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.