Ethyl p-(5-oxobicyclo(4.4.1)undeca-3,6,8,10-tetraen-2-ylidene)hydrazinobenzoate
TL;DR: Ethyl p-(5-oxobicyclo(4.4.1)undeca-3,6,8,10-tetraen-2-ylidene)hydrazinobenzoate (CAS 89154-51-8) is a chemical compound with molecular formula C20H18N2O3 and molecular weight 334.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(5-hydroxy-2-bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaenyl)diazenyl]benzoate
Also Known As: Ethyl p-(5-oxobicyclo(4.4.1)undeca-3,6,8,10-tetraen-2-ylidene)hydrazinobenzoate, Ethyl p-(5-oxobicyclo[4.4.1]undeca-3,6,8,10-tetraen-2-ylidene)hydrazinobenzoate, ethyl 4-[(2E)-2-(5-oxo-2-bicyclo[4.4.1]undeca-1(10),3,6,8-tetraenylidene)hydrazinyl]benzoate
| Molecular Formula | C20H18N2O3 |
|---|---|
| Molecular Weight | 334.13 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 71.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 334.13174 |
| Heavy Atoms | 25 |
| Complexity | 460.0 |
Chemical Identifiers
| CAS Number | 89154-51-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N=NC2=CC=C(C3=CC=CC=C2C3)O |
| InChIKey | WDXRYIJNCXPVQF-UHFFFAOYSA-N |
Product Overview
Ethyl p-(5-oxobicyclo(4.4.1)undeca-3,6,8,10-tetraen-2-ylidene)hydrazinobenzoate (CAS 89154-51-8), with molecular formula C20H18N2O3 and molecular weight 334.13 g/mol. IUPAC: ethyl 4-[(5-hydroxy-2-bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaenyl)diazenyl]benzoate.
Chemical Property Profile of Ethyl p-(5-oxobicyclo(4.4.1)undeca-3,6,8,10-tetraen-2-ylidene)hydrazinobenzoate
Property Insights of Ethyl p-(5-oxobicyclo(4.4.1)undeca-3,6,8,10-tetraen-2-ylidene)hydrazinobenzoate
The XLogP value of 4.8 indicates that Ethyl p-(5-oxobicyclo(4.4.1)undeca-3,6,8,10-tetraen-2-ylidene)hydrazinobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl p-(5-oxobicyclo(4.4.1)undeca-3,6,8,10-tetraen-2-ylidene)hydrazinobenzoate. Following Lipinski's Rule of Five, Ethyl p-(5-oxobicyclo(4.4.1)undeca-3,6,8,10-tetraen-2-ylidene)hydrazinobenzoate 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 Ethyl p-(5-oxobicyclo(4.4.1)undeca-3,6,8,10-tetraen-2-ylidene)hydrazinobenzoate?
The CAS number of Ethyl p-(5-oxobicyclo(4.4.1)undeca-3,6,8,10-tetraen-2-ylidene)hydrazinobenzoate is 89154-51-8.
What is the molecular formula of Ethyl p-(5-oxobicyclo(4.4.1)undeca-3,6,8,10-tetraen-2-ylidene)hydrazinobenzoate?
The molecular formula of Ethyl p-(5-oxobicyclo(4.4.1)undeca-3,6,8,10-tetraen-2-ylidene)hydrazinobenzoate is C20H18N2O3.
What is the molecular weight of Ethyl p-(5-oxobicyclo(4.4.1)undeca-3,6,8,10-tetraen-2-ylidene)hydrazinobenzoate?
The molecular weight of Ethyl p-(5-oxobicyclo(4.4.1)undeca-3,6,8,10-tetraen-2-ylidene)hydrazinobenzoate is 334.13 g/mol.
Where can I buy Ethyl p-(5-oxobicyclo(4.4.1)undeca-3,6,8,10-tetraen-2-ylidene)hydrazinobenzoate?
You can request a quote for Ethyl p-(5-oxobicyclo(4.4.1)undeca-3,6,8,10-tetraen-2-ylidene)hydrazinobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl p-(5-oxobicyclo(4.4.1)undeca-3,6,8,10-tetraen-2-ylidene)hydrazinobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl p-(5-oxobicyclo(4.4.1)undeca-3,6,8,10-tetraen-2-ylidene)hydrazinobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.