![Methyl 2,2-bis[2-(4-nitrophenyl)ethyl]-3-oxobutanoate structure](/static/products/5936/5936-79-8.webp)
Methyl 2,2-bis[2-(4-nitrophenyl)ethyl]-3-oxobutanoate
TL;DR: Methyl 2,2-bis[2-(4-nitrophenyl)ethyl]-3-oxobutanoate (CAS 5936-79-8) is a chemical compound with molecular formula C21H22N2O7 and molecular weight 414.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,2-bis[2-(4-nitrophenyl)ethyl]-3-oxobutanoate
Also Known As: 2, methyl ester, methyl 2,2-bis[2-(4-nitrophenyl)ethyl]-3-oxobutanoate, METHYL 2,2-BIS[2-(4-NITROPHENYL)ETHYL]-3-OXO-BUTANOATE
| Molecular Formula | C21H22N2O7 |
|---|---|
| Molecular Weight | 414.14 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 414.1427 |
| Heavy Atoms | 30 |
| Complexity | 586.0 |
Chemical Identifiers
| CAS Number | 5936-79-8 |
|---|---|
| SMILES | CC(=O)C(CCC1=CC=C(C=C1)[N+](=O)[O-])(CCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC |
| InChIKey | YNSBZUQDKWDXRD-UHFFFAOYSA-N |
Product Overview
Methyl 2,2-bis[2-(4-nitrophenyl)ethyl]-3-oxobutanoate (CAS 5936-79-8), with molecular formula C21H22N2O7 and molecular weight 414.14 g/mol. IUPAC: methyl 2,2-bis[2-(4-nitrophenyl)ethyl]-3-oxobutanoate.
Chemical Property Profile of Methyl 2,2-bis[2-(4-nitrophenyl)ethyl]-3-oxobutanoate
Property Insights of Methyl 2,2-bis[2-(4-nitrophenyl)ethyl]-3-oxobutanoate
The XLogP value of 4.1 indicates that Methyl 2,2-bis[2-(4-nitrophenyl)ethyl]-3-oxobutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2,2-bis[2-(4-nitrophenyl)ethyl]-3-oxobutanoate. Following Lipinski's Rule of Five, Methyl 2,2-bis[2-(4-nitrophenyl)ethyl]-3-oxobutanoate has 0 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 Methyl 2,2-bis[2-(4-nitrophenyl)ethyl]-3-oxobutanoate?
The CAS number of Methyl 2,2-bis[2-(4-nitrophenyl)ethyl]-3-oxobutanoate is 5936-79-8.
What is the molecular formula of Methyl 2,2-bis[2-(4-nitrophenyl)ethyl]-3-oxobutanoate?
The molecular formula of Methyl 2,2-bis[2-(4-nitrophenyl)ethyl]-3-oxobutanoate is C21H22N2O7.
What is the molecular weight of Methyl 2,2-bis[2-(4-nitrophenyl)ethyl]-3-oxobutanoate?
The molecular weight of Methyl 2,2-bis[2-(4-nitrophenyl)ethyl]-3-oxobutanoate is 414.14 g/mol.
Where can I buy Methyl 2,2-bis[2-(4-nitrophenyl)ethyl]-3-oxobutanoate?
You can request a quote for Methyl 2,2-bis[2-(4-nitrophenyl)ethyl]-3-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2,2-bis[2-(4-nitrophenyl)ethyl]-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2,2-bis[2-(4-nitrophenyl)ethyl]-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.