![Propanedioic acid, [1-(4-methylphenyl)-2-nitroethyl]-, dimethyl ester structure](/static/products/1007/100719-33-3.webp)
Propanedioic acid, [1-(4-methylphenyl)-2-nitroethyl]-, dimethyl ester
TL;DR: Propanedioic acid, [1-(4-methylphenyl)-2-nitroethyl]-, dimethyl ester (CAS 100719-33-3) is a chemical compound with molecular formula C14H17NO6 and molecular weight 295.1056 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl 2-[1-(4-methylphenyl)-2-nitroethyl]propanedioate
Also Known As: J2.084.007B, dimethyl 2-(2-nitro-1-(p-tolyl)ethyl)malonate, dimethyl [1-(4-methylphenyl)-2-nitroethyl]propanedioate, Propanedioic acid, [1-(4-methylphenyl)-2-nitroethyl]-, dimethyl ester, dimethyl 2-[1-(4-methylphenyl)-2-nitroethyl]propanedioate
Technical Specifications
| Molecular Formula | C14H17NO6 |
| Molecular Weight | 295.1056 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 98.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 295.1056 Da |
| Heavy Atoms | 21 |
| Complexity | 367.0 |
| SMILES | CC1=CC=C(C=C1)C(C[N+](=O)[O-])C(C(=O)OC)C(=O)OC |
| InChIKey | CFNLQAIKBRQDQG-UHFFFAOYSA-N |
Chemical Property Profile of Propanedioic acid, [1-(4-methylphenyl)-2-nitroethyl]-, dimethyl ester
Property Insights of Propanedioic acid, [1-(4-methylphenyl)-2-nitroethyl]-, dimethyl ester
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanedioic acid, [1-(4-methylphenyl)-2-nitroethyl]-, dimethyl ester. The TPSA of 98.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanedioic acid, [1-(4-methylphenyl)-2-nitroethyl]-, dimethyl ester. Following Lipinski's Rule of Five, Propanedioic acid, [1-(4-methylphenyl)-2-nitroethyl]-, dimethyl ester 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 Propanedioic acid, [1-(4-methylphenyl)-2-nitroethyl]-, dimethyl ester?
The CAS number of Propanedioic acid, [1-(4-methylphenyl)-2-nitroethyl]-, dimethyl ester is 100719-33-3.
What is the molecular formula of Propanedioic acid, [1-(4-methylphenyl)-2-nitroethyl]-, dimethyl ester?
The molecular formula of Propanedioic acid, [1-(4-methylphenyl)-2-nitroethyl]-, dimethyl ester is C14H17NO6.
What is the molecular weight of Propanedioic acid, [1-(4-methylphenyl)-2-nitroethyl]-, dimethyl ester?
The molecular weight of Propanedioic acid, [1-(4-methylphenyl)-2-nitroethyl]-, dimethyl ester is 295.1056 g/mol.
Where can I buy Propanedioic acid, [1-(4-methylphenyl)-2-nitroethyl]-, dimethyl ester?
You can request a quote for Propanedioic acid, [1-(4-methylphenyl)-2-nitroethyl]-, dimethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Propanedioic acid, [1-(4-methylphenyl)-2-nitroethyl]-, dimethyl ester?
Yes, CoreyChem provides custom synthesis services for Propanedioic acid, [1-(4-methylphenyl)-2-nitroethyl]-, dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.