![[2-(2-Nitroanilino)-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate structure](/static/products/1005/1005089-52-0.webp)
[2-(2-Nitroanilino)-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate
TL;DR: [2-(2-Nitroanilino)-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate (CAS 1005089-52-0) is a chemical compound with molecular formula C16H16N2O5 and molecular weight 316.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2-nitroanilino)-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate
Also Known As: [2-(2-nitroanilino)-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate|[2-(2-nitroanilino)-2-oxoethyl] bicyclo[2.2.1]hept-2-ene-5-carboxylate|MLS002248980|SMR001316435
| Molecular Formula | C16H16N2O5 |
|---|---|
| Molecular Weight | 316.11 g/mol |
| LogP | 2.2887 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 316.10593 |
| Heavy Atoms | 23 |
| Complexity | 684.8031 |
Chemical Identifiers
| CAS Number | 1005089-52-0 |
|---|---|
| SMILES | C1C2CC(C1C=C2)C(=O)OCC(=O)NC3=CC=CC=C3[N+](=O)[O-] |
Product Overview
[2-(2-Nitroanilino)-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate (CAS 1005089-52-0), with molecular formula C16H16N2O5 and molecular weight 316.11 g/mol. IUPAC: [2-(2-nitroanilino)-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate.
Chemical Property Profile of [2-(2-Nitroanilino)-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate
Property Insights of [2-(2-Nitroanilino)-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate
The XLogP value of 2.2887 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-(2-Nitroanilino)-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-(2-Nitroanilino)-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate. Following Lipinski's Rule of Five, [2-(2-Nitroanilino)-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate has 1 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-(2-Nitroanilino)-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The CAS number of [2-(2-Nitroanilino)-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate is 1005089-52-0.
What is the molecular formula of [2-(2-Nitroanilino)-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The molecular formula of [2-(2-Nitroanilino)-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate is C16H16N2O5.
What is the molecular weight of [2-(2-Nitroanilino)-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The molecular weight of [2-(2-Nitroanilino)-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate is 316.11 g/mol.
Where can I buy [2-(2-Nitroanilino)-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate?
You can request a quote for [2-(2-Nitroanilino)-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(2-Nitroanilino)-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [2-(2-Nitroanilino)-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.