2-(4-Nitrophenyl)-2-oxoethyl cyclohex-2-ene-1-carboxylate
TL;DR: 2-(4-Nitrophenyl)-2-oxoethyl cyclohex-2-ene-1-carboxylate (CAS 351990-88-0) is a chemical compound with molecular formula C15H15NO5 and molecular weight 289.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-nitrophenyl)-2-oxoethyl] cyclohex-2-ene-1-carboxylate
Also Known As: 2-(4-nitrophenyl)-2-oxoethyl cyclohex-2-ene-1-carboxylate, AB01334295-02, 2-(4-nitrophenyl)-2-oxoethyl cyclohex-2-enecarboxylate, [2-(4-nitrophenyl)-2-oxoethyl] cyclohex-2-ene-1-carboxylate, 2-{4-nitrophenyl}-2-oxoethyl 2-cyclohexene-1-carboxylate
| Molecular Formula | C15H15NO5 |
|---|---|
| Molecular Weight | 289.10 g/mol |
| LogP | 2.677 |
| Topological Polar Surface Area | 86.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 289.09503 |
| Heavy Atoms | 21 |
| Complexity | 576.2317 |
Chemical Identifiers
| CAS Number | 351990-88-0 |
|---|---|
| SMILES | C1CC=CC(C1)C(=O)OCC(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
2-(4-Nitrophenyl)-2-oxoethyl cyclohex-2-ene-1-carboxylate (CAS 351990-88-0), with molecular formula C15H15NO5 and molecular weight 289.10 g/mol. IUPAC: [2-(4-nitrophenyl)-2-oxoethyl] cyclohex-2-ene-1-carboxylate.
Chemical Property Profile of 2-(4-Nitrophenyl)-2-oxoethyl cyclohex-2-ene-1-carboxylate
Property Insights of 2-(4-Nitrophenyl)-2-oxoethyl cyclohex-2-ene-1-carboxylate
The XLogP value of 2.677 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Nitrophenyl)-2-oxoethyl cyclohex-2-ene-1-carboxylate. The TPSA of 86.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Nitrophenyl)-2-oxoethyl cyclohex-2-ene-1-carboxylate. Following Lipinski's Rule of Five, 2-(4-Nitrophenyl)-2-oxoethyl cyclohex-2-ene-1-carboxylate 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 2-(4-Nitrophenyl)-2-oxoethyl cyclohex-2-ene-1-carboxylate?
The CAS number of 2-(4-Nitrophenyl)-2-oxoethyl cyclohex-2-ene-1-carboxylate is 351990-88-0.
What is the molecular formula of 2-(4-Nitrophenyl)-2-oxoethyl cyclohex-2-ene-1-carboxylate?
The molecular formula of 2-(4-Nitrophenyl)-2-oxoethyl cyclohex-2-ene-1-carboxylate is C15H15NO5.
What is the molecular weight of 2-(4-Nitrophenyl)-2-oxoethyl cyclohex-2-ene-1-carboxylate?
The molecular weight of 2-(4-Nitrophenyl)-2-oxoethyl cyclohex-2-ene-1-carboxylate is 289.10 g/mol.
Where can I buy 2-(4-Nitrophenyl)-2-oxoethyl cyclohex-2-ene-1-carboxylate?
You can request a quote for 2-(4-Nitrophenyl)-2-oxoethyl cyclohex-2-ene-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Nitrophenyl)-2-oxoethyl cyclohex-2-ene-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Nitrophenyl)-2-oxoethyl cyclohex-2-ene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.