![Dimethyl 2-[(4-nitrophenyl)methyl]propanedioate structure](/static/products/1240/124090-10-4.webp)
Dimethyl 2-[(4-nitrophenyl)methyl]propanedioate
TL;DR: Dimethyl 2-[(4-nitrophenyl)methyl]propanedioate (CAS 124090-10-4) is a chemical compound with molecular formula C12H13NO6 and molecular weight 267.07428 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl 2-[(4-nitrophenyl)methyl]propanedioate
Also Known As: dimethyl(4-nitrobenzyl)malonate, Dimethyl 2-[(4-nitrophenyl)methyl]propanedioate, dimethyl (4-nitrobenzyl)propanedioate, dimethyl 2-(4-nitrobenzyl)malonate, DIMETHYL (4-NITROBENZYL)MALONATE
Technical Specifications
| Molecular Formula | C12H13NO6 |
| Molecular Weight | 267.07428 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 98.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 267.07428 Da |
| Heavy Atoms | 19 |
| Complexity | 327.0 |
| SMILES | COC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)OC |
| InChIKey | HCFICDDPFRMXNM-UHFFFAOYSA-N |
Chemical Property Profile of Dimethyl 2-[(4-nitrophenyl)methyl]propanedioate
Property Insights of Dimethyl 2-[(4-nitrophenyl)methyl]propanedioate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-[(4-nitrophenyl)methyl]propanedioate. The TPSA of 98.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-[(4-nitrophenyl)methyl]propanedioate. Following Lipinski's Rule of Five, Dimethyl 2-[(4-nitrophenyl)methyl]propanedioate 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
What is the CAS number of Dimethyl 2-[(4-nitrophenyl)methyl]propanedioate?
The CAS number of Dimethyl 2-[(4-nitrophenyl)methyl]propanedioate is 124090-10-4.
What is the molecular formula of Dimethyl 2-[(4-nitrophenyl)methyl]propanedioate?
The molecular formula of Dimethyl 2-[(4-nitrophenyl)methyl]propanedioate is C12H13NO6.
What is the molecular weight of Dimethyl 2-[(4-nitrophenyl)methyl]propanedioate?
The molecular weight of Dimethyl 2-[(4-nitrophenyl)methyl]propanedioate is 267.07428 g/mol.
Where can I buy Dimethyl 2-[(4-nitrophenyl)methyl]propanedioate?
You can request a quote for Dimethyl 2-[(4-nitrophenyl)methyl]propanedioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dimethyl 2-[(4-nitrophenyl)methyl]propanedioate?
Yes, CoreyChem provides custom synthesis services for Dimethyl 2-[(4-nitrophenyl)methyl]propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.