Ethyl 4-(4-nitrophenyl)-3-oxobutanoate
TL;DR: Ethyl 4-(4-nitrophenyl)-3-oxobutanoate (CAS 62088-12-4) is a chemical compound with molecular formula C12H13NO5 and molecular weight 251.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-nitrophenyl)-3-oxobutanoate
Also Known As: Ethyl 4-(4-nitrophenyl)-3-oxobutanoate, 4-(4-NITRO-PHENYL)-3-OXO-BUTYRIC ACID ETHYL ESTER, Ethyl4-(4-nitrophenyl)-3-oxobutanoate, 4- -3-OXO-BUTYRICACIDETHYLESTER, ethyl 4-(4-nitrophenyl)-3-oxo-butanoate
| Molecular Formula | C12H13NO5 |
|---|---|
| Molecular Weight | 251.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 89.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 251.07938 |
| Heavy Atoms | 18 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 62088-12-4 |
|---|---|
| SMILES | CCOC(=O)CC(=O)CC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | UUTYXRRHMODSGX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4-(4-nitrophenyl)-3-oxobutanoate (CAS 62088-12-4), with molecular formula C12H13NO5 and molecular weight 251.08 g/mol. IUPAC: ethyl 4-(4-nitrophenyl)-3-oxobutanoate.
Chemical Property Profile of Ethyl 4-(4-nitrophenyl)-3-oxobutanoate
Property Insights of Ethyl 4-(4-nitrophenyl)-3-oxobutanoate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(4-nitrophenyl)-3-oxobutanoate. The TPSA of 89.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(4-nitrophenyl)-3-oxobutanoate. Following Lipinski's Rule of Five, Ethyl 4-(4-nitrophenyl)-3-oxobutanoate has 0 hydrogen bond donor(s) and 5 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 4-(4-nitrophenyl)-3-oxobutanoate?
The CAS number of Ethyl 4-(4-nitrophenyl)-3-oxobutanoate is 62088-12-4.
What is the molecular formula of Ethyl 4-(4-nitrophenyl)-3-oxobutanoate?
The molecular formula of Ethyl 4-(4-nitrophenyl)-3-oxobutanoate is C12H13NO5.
What is the molecular weight of Ethyl 4-(4-nitrophenyl)-3-oxobutanoate?
The molecular weight of Ethyl 4-(4-nitrophenyl)-3-oxobutanoate is 251.08 g/mol.
Where can I buy Ethyl 4-(4-nitrophenyl)-3-oxobutanoate?
You can request a quote for Ethyl 4-(4-nitrophenyl)-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 4-(4-nitrophenyl)-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(4-nitrophenyl)-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.