![Ethyl 4-{[(e)-(2-oxocyclohexyl)methylidene]amino}benzoate structure](/static/products/5979/5979-16-8.webp)
Ethyl 4-{[(e)-(2-oxocyclohexyl)methylidene]amino}benzoate
TL;DR: Ethyl 4-{[(e)-(2-oxocyclohexyl)methylidene]amino}benzoate (CAS 5979-16-8) is a chemical compound with molecular formula C16H19NO3 and molecular weight 273.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(2-oxocyclohexyl)methylideneamino]benzoate
Also Known As: ethyl 4-{[(e)-(2-oxocyclohexyl)methylidene]amino}benzoate, ethyl 4-[(2-oxocyclohexyl)methylideneamino]benzoate, Ethyl 4-{(E)-[(2-oxocyclohexyl)methylidene]amino}benzoate, P-[[(2-OXOCYCLOHEXYL)METHYLENE]AMINO]BENZOIC ACID, ETHYL ESTER
| Molecular Formula | C16H19NO3 |
|---|---|
| Molecular Weight | 273.14 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 55.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 273.1365 |
| Heavy Atoms | 20 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 5979-16-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N=CC2CCCCC2=O |
| InChIKey | LQSVKENMAXZZIF-UHFFFAOYSA-N |
Product Overview
Ethyl 4-{[(e)-(2-oxocyclohexyl)methylidene]amino}benzoate (CAS 5979-16-8), with molecular formula C16H19NO3 and molecular weight 273.14 g/mol. IUPAC: ethyl 4-[(2-oxocyclohexyl)methylideneamino]benzoate.
Chemical Property Profile of Ethyl 4-{[(e)-(2-oxocyclohexyl)methylidene]amino}benzoate
Property Insights of Ethyl 4-{[(e)-(2-oxocyclohexyl)methylidene]amino}benzoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-{[(e)-(2-oxocyclohexyl)methylidene]amino}benzoate. With a topological polar surface area (TPSA) of 55.7 Ų, Ethyl 4-{[(e)-(2-oxocyclohexyl)methylidene]amino}benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-{[(e)-(2-oxocyclohexyl)methylidene]amino}benzoate 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 4-{[(e)-(2-oxocyclohexyl)methylidene]amino}benzoate?
The CAS number of Ethyl 4-{[(e)-(2-oxocyclohexyl)methylidene]amino}benzoate is 5979-16-8.
What is the molecular formula of Ethyl 4-{[(e)-(2-oxocyclohexyl)methylidene]amino}benzoate?
The molecular formula of Ethyl 4-{[(e)-(2-oxocyclohexyl)methylidene]amino}benzoate is C16H19NO3.
What is the molecular weight of Ethyl 4-{[(e)-(2-oxocyclohexyl)methylidene]amino}benzoate?
The molecular weight of Ethyl 4-{[(e)-(2-oxocyclohexyl)methylidene]amino}benzoate is 273.14 g/mol.
Where can I buy Ethyl 4-{[(e)-(2-oxocyclohexyl)methylidene]amino}benzoate?
You can request a quote for Ethyl 4-{[(e)-(2-oxocyclohexyl)methylidene]amino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-{[(e)-(2-oxocyclohexyl)methylidene]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-{[(e)-(2-oxocyclohexyl)methylidene]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.