![Ethyl 4-{[(1-cyanocyclopentyl)carbamoyl]methoxy}benzoate structure](/static/products/876/876687-95-5.png)
Ethyl 4-{[(1-cyanocyclopentyl)carbamoyl]methoxy}benzoate
TL;DR: Ethyl 4-{[(1-cyanocyclopentyl)carbamoyl]methoxy}benzoate (CAS 876687-95-5) is a chemical compound with molecular formula C17H20N2O4 and molecular weight 316.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-[(1-cyanocyclopentyl)amino]-2-oxoethoxy]benzoate
Also Known As: ethyl 4-{[(1-cyanocyclopentyl)carbamoyl]methoxy}benzoate
| Molecular Formula | C17H20N2O4 |
|---|---|
| Molecular Weight | 316.14 g/mol |
| LogP | 2.19468 |
| Topological Polar Surface Area | 88.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 316.1423 |
| Heavy Atoms | 23 |
| Complexity | 598.0145 |
Chemical Identifiers
| CAS Number | 876687-95-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)OCC(=O)NC2(CCCC2)C#N |
Product Overview
Ethyl 4-{[(1-cyanocyclopentyl)carbamoyl]methoxy}benzoate (CAS 876687-95-5), with molecular formula C17H20N2O4 and molecular weight 316.14 g/mol. IUPAC: ethyl 4-[2-[(1-cyanocyclopentyl)amino]-2-oxoethoxy]benzoate.
Chemical Property Profile of Ethyl 4-{[(1-cyanocyclopentyl)carbamoyl]methoxy}benzoate
Property Insights of Ethyl 4-{[(1-cyanocyclopentyl)carbamoyl]methoxy}benzoate
The XLogP value of 2.19468 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-{[(1-cyanocyclopentyl)carbamoyl]methoxy}benzoate. The TPSA of 88.42 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-{[(1-cyanocyclopentyl)carbamoyl]methoxy}benzoate. Following Lipinski's Rule of Five, Ethyl 4-{[(1-cyanocyclopentyl)carbamoyl]methoxy}benzoate 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 4-{[(1-cyanocyclopentyl)carbamoyl]methoxy}benzoate?
The CAS number of Ethyl 4-{[(1-cyanocyclopentyl)carbamoyl]methoxy}benzoate is 876687-95-5.
What is the molecular formula of Ethyl 4-{[(1-cyanocyclopentyl)carbamoyl]methoxy}benzoate?
The molecular formula of Ethyl 4-{[(1-cyanocyclopentyl)carbamoyl]methoxy}benzoate is C17H20N2O4.
What is the molecular weight of Ethyl 4-{[(1-cyanocyclopentyl)carbamoyl]methoxy}benzoate?
The molecular weight of Ethyl 4-{[(1-cyanocyclopentyl)carbamoyl]methoxy}benzoate is 316.14 g/mol.
Where can I buy Ethyl 4-{[(1-cyanocyclopentyl)carbamoyl]methoxy}benzoate?
You can request a quote for Ethyl 4-{[(1-cyanocyclopentyl)carbamoyl]methoxy}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-{[(1-cyanocyclopentyl)carbamoyl]methoxy}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-{[(1-cyanocyclopentyl)carbamoyl]methoxy}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.