Dimethyl 2-allyl-2-(4-nitrophenyl)malonate
TL;DR: Dimethyl 2-allyl-2-(4-nitrophenyl)malonate (CAS 404597-63-3) is a chemical compound with molecular formula C14H15NO6 and molecular weight 293.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(4-nitrophenyl)-2-prop-2-enylpropanedioate
Also Known As: dimethyl 2-allyl-2-(4-nitrophenyl)malonate, dimethylallylnitrophenylmalonate, 2725AE, dimethyl 2-allyl-2-(4-nitrophenyl) malonate, dimethyl 2-(4-nitrophenyl)-2-prop-2-enylpropanedioate
| Molecular Formula | C14H15NO6 |
|---|---|
| Molecular Weight | 293.09 g/mol |
| LogP | 1.7547 |
| Topological Polar Surface Area | 95.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 293.08994 |
| Heavy Atoms | 21 |
| Complexity | 547.3319 |
Chemical Identifiers
| CAS Number | 404597-63-3 |
|---|---|
| SMILES | COC(=O)C(CC=C)(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)OC |
Product Overview
Dimethyl 2-allyl-2-(4-nitrophenyl)malonate (CAS 404597-63-3), with molecular formula C14H15NO6 and molecular weight 293.09 g/mol. IUPAC: dimethyl 2-(4-nitrophenyl)-2-prop-2-enylpropanedioate.
Chemical Property Profile of Dimethyl 2-allyl-2-(4-nitrophenyl)malonate
Property Insights of Dimethyl 2-allyl-2-(4-nitrophenyl)malonate
The XLogP value of 1.7547 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-allyl-2-(4-nitrophenyl)malonate. The TPSA of 95.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-allyl-2-(4-nitrophenyl)malonate. Following Lipinski's Rule of Five, Dimethyl 2-allyl-2-(4-nitrophenyl)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 2-allyl-2-(4-nitrophenyl)malonate?
The CAS number of Dimethyl 2-allyl-2-(4-nitrophenyl)malonate is 404597-63-3.
What is the molecular formula of Dimethyl 2-allyl-2-(4-nitrophenyl)malonate?
The molecular formula of Dimethyl 2-allyl-2-(4-nitrophenyl)malonate is C14H15NO6.
What is the molecular weight of Dimethyl 2-allyl-2-(4-nitrophenyl)malonate?
The molecular weight of Dimethyl 2-allyl-2-(4-nitrophenyl)malonate is 293.09 g/mol.
Where can I buy Dimethyl 2-allyl-2-(4-nitrophenyl)malonate?
You can request a quote for Dimethyl 2-allyl-2-(4-nitrophenyl)malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-allyl-2-(4-nitrophenyl)malonate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-allyl-2-(4-nitrophenyl)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.