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Ethyl 2,2-bis[2-(4-nitrophenyl)ethyl]-3-oxobutanoate
TL;DR: Ethyl 2,2-bis[2-(4-nitrophenyl)ethyl]-3-oxobutanoate (CAS 5345-37-9) is a chemical compound with molecular formula C22H24N2O7 and molecular weight 428.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,2-bis[2-(4-nitrophenyl)ethyl]-3-oxobutanoate
Also Known As: ethyl 2,2-bis[2-(4-nitrophenyl)ethyl]-3-oxobutanoate
| Molecular Formula | C22H24N2O7 |
|---|---|
| Molecular Weight | 428.16 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 428.15836 |
| Heavy Atoms | 31 |
| Complexity | 601.0 |
Chemical Identifiers
| CAS Number | 5345-37-9 |
|---|---|
| SMILES | CCOC(=O)C(CCC1=CC=C(C=C1)[N+](=O)[O-])(CCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C |
| InChIKey | OKMKEHRKHLGQPD-UHFFFAOYSA-N |
Product Overview
Ethyl 2,2-bis[2-(4-nitrophenyl)ethyl]-3-oxobutanoate (CAS 5345-37-9), with molecular formula C22H24N2O7 and molecular weight 428.16 g/mol. IUPAC: ethyl 2,2-bis[2-(4-nitrophenyl)ethyl]-3-oxobutanoate.
Chemical Property Profile of Ethyl 2,2-bis[2-(4-nitrophenyl)ethyl]-3-oxobutanoate
Property Insights of Ethyl 2,2-bis[2-(4-nitrophenyl)ethyl]-3-oxobutanoate
The XLogP value of 4.5 indicates that Ethyl 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 Ethyl 2,2-bis[2-(4-nitrophenyl)ethyl]-3-oxobutanoate. Following Lipinski's Rule of Five, Ethyl 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 Ethyl 2,2-bis[2-(4-nitrophenyl)ethyl]-3-oxobutanoate?
The CAS number of Ethyl 2,2-bis[2-(4-nitrophenyl)ethyl]-3-oxobutanoate is 5345-37-9.
What is the molecular formula of Ethyl 2,2-bis[2-(4-nitrophenyl)ethyl]-3-oxobutanoate?
The molecular formula of Ethyl 2,2-bis[2-(4-nitrophenyl)ethyl]-3-oxobutanoate is C22H24N2O7.
What is the molecular weight of Ethyl 2,2-bis[2-(4-nitrophenyl)ethyl]-3-oxobutanoate?
The molecular weight of Ethyl 2,2-bis[2-(4-nitrophenyl)ethyl]-3-oxobutanoate is 428.16 g/mol.
Where can I buy Ethyl 2,2-bis[2-(4-nitrophenyl)ethyl]-3-oxobutanoate?
You can request a quote for Ethyl 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 Ethyl 2,2-bis[2-(4-nitrophenyl)ethyl]-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2,2-bis[2-(4-nitrophenyl)ethyl]-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.