![Dimethyl 2,2-bis[2-(4-nitrophenyl)ethyl]propanedioate structure](/static/products/5345/5345-38-0.webp)
Dimethyl 2,2-bis[2-(4-nitrophenyl)ethyl]propanedioate
TL;DR: Dimethyl 2,2-bis[2-(4-nitrophenyl)ethyl]propanedioate (CAS 5345-38-0) is a chemical compound with molecular formula C21H22N2O8 and molecular weight 430.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2,2-bis[2-(4-nitrophenyl)ethyl]propanedioate
Also Known As: dimethyl 2,2-bis[2-(4-nitrophenyl)ethyl]propanedioate, Dimethyl bis[2-(4-nitrophenyl)ethyl]propanedioate, 2-Cyan-2-(4-nitro-phenaethyl)-4-(4-nitro-phenyl)-buttersaeure-aethylester
| Molecular Formula | C21H22N2O8 |
|---|---|
| Molecular Weight | 430.14 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 430.1376 |
| Heavy Atoms | 31 |
| Complexity | 585.0 |
Chemical Identifiers
| CAS Number | 5345-38-0 |
|---|---|
| SMILES | COC(=O)C(CCC1=CC=C(C=C1)[N+](=O)[O-])(CCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC |
| InChIKey | YCGYNSKARBTTLL-UHFFFAOYSA-N |
Product Overview
Dimethyl 2,2-bis[2-(4-nitrophenyl)ethyl]propanedioate (CAS 5345-38-0), with molecular formula C21H22N2O8 and molecular weight 430.14 g/mol. IUPAC: dimethyl 2,2-bis[2-(4-nitrophenyl)ethyl]propanedioate.
Chemical Property Profile of Dimethyl 2,2-bis[2-(4-nitrophenyl)ethyl]propanedioate
Property Insights of Dimethyl 2,2-bis[2-(4-nitrophenyl)ethyl]propanedioate
The XLogP value of 4.3 indicates that Dimethyl 2,2-bis[2-(4-nitrophenyl)ethyl]propanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.0 Ų indicates high polarity, suggesting Dimethyl 2,2-bis[2-(4-nitrophenyl)ethyl]propanedioate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dimethyl 2,2-bis[2-(4-nitrophenyl)ethyl]propanedioate has 0 hydrogen bond donor(s) and 8 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 2,2-bis[2-(4-nitrophenyl)ethyl]propanedioate?
The CAS number of Dimethyl 2,2-bis[2-(4-nitrophenyl)ethyl]propanedioate is 5345-38-0.
What is the molecular formula of Dimethyl 2,2-bis[2-(4-nitrophenyl)ethyl]propanedioate?
The molecular formula of Dimethyl 2,2-bis[2-(4-nitrophenyl)ethyl]propanedioate is C21H22N2O8.
What is the molecular weight of Dimethyl 2,2-bis[2-(4-nitrophenyl)ethyl]propanedioate?
The molecular weight of Dimethyl 2,2-bis[2-(4-nitrophenyl)ethyl]propanedioate is 430.14 g/mol.
Where can I buy Dimethyl 2,2-bis[2-(4-nitrophenyl)ethyl]propanedioate?
You can request a quote for Dimethyl 2,2-bis[2-(4-nitrophenyl)ethyl]propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2,2-bis[2-(4-nitrophenyl)ethyl]propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2,2-bis[2-(4-nitrophenyl)ethyl]propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.