Ethyl 3-(4-nitrophenyl)prop-2-ynoate
TL;DR: Ethyl 3-(4-nitrophenyl)prop-2-ynoate (CAS 35283-08-0) is a chemical compound with molecular formula C11H9NO4 and molecular weight 219.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(4-nitrophenyl)prop-2-ynoate
Also Known As: ethyl 3-(4-nitrophenyl)prop-2-ynoate, Athyl-p-nitrophenylpropiolat, ethyl 4-nitrophenylpropiolate, ethyl 3-(4-nitrophenyl)propiolate, ethyl 3-(4-nitrophenyl)propynoate
| Molecular Formula | C11H9NO4 |
|---|---|
| Molecular Weight | 219.05 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.05316 |
| Heavy Atoms | 16 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 35283-08-0 |
|---|---|
| SMILES | CCOC(=O)C#CC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | VOFGHYIUFUAZQO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-(4-nitrophenyl)prop-2-ynoate (CAS 35283-08-0), with molecular formula C11H9NO4 and molecular weight 219.05 g/mol. IUPAC: ethyl 3-(4-nitrophenyl)prop-2-ynoate.
Chemical Property Profile of Ethyl 3-(4-nitrophenyl)prop-2-ynoate
Property Insights of Ethyl 3-(4-nitrophenyl)prop-2-ynoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(4-nitrophenyl)prop-2-ynoate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(4-nitrophenyl)prop-2-ynoate. Following Lipinski's Rule of Five, Ethyl 3-(4-nitrophenyl)prop-2-ynoate has 0 hydrogen bond donor(s) and 4 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 3-(4-nitrophenyl)prop-2-ynoate?
The CAS number of Ethyl 3-(4-nitrophenyl)prop-2-ynoate is 35283-08-0.
What is the molecular formula of Ethyl 3-(4-nitrophenyl)prop-2-ynoate?
The molecular formula of Ethyl 3-(4-nitrophenyl)prop-2-ynoate is C11H9NO4.
What is the molecular weight of Ethyl 3-(4-nitrophenyl)prop-2-ynoate?
The molecular weight of Ethyl 3-(4-nitrophenyl)prop-2-ynoate is 219.05 g/mol.
Where can I buy Ethyl 3-(4-nitrophenyl)prop-2-ynoate?
You can request a quote for Ethyl 3-(4-nitrophenyl)prop-2-ynoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(4-nitrophenyl)prop-2-ynoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(4-nitrophenyl)prop-2-ynoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.