Ethyl 2-cyano-2-(2-hydroxy-1,3-dioxoinden-2-yl)acetate
TL;DR: Ethyl 2-cyano-2-(2-hydroxy-1,3-dioxoinden-2-yl)acetate (CAS 30511-20-7) is a chemical compound with molecular formula C14H11NO5 and molecular weight 273.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-2-(2-hydroxy-1,3-dioxoinden-2-yl)acetate
Also Known As: ethyl 2-nitrilo-2-(2-hydroxy-1,3-dioxoindan-2-yl)acetate, ethyl 2-cyano-2-(2-hydroxy-1,3-dioxo-2,3-dihydro-1H-inden-2-yl)acetate, ethyl 2-cyano-2-(2-hydroxy-1,3-dioxoinden-2-yl)acetate, ethyl 2-cyano-2-(2-hydroxy-1,3-dioxo-indan-2-yl)acetate, ethyl 2-cyano-2-(2-hydroxy-1,3-dioxo(2-hydrocyclopenta[3,4-a]benzen-2-yl))acet ate
| Molecular Formula | C14H11NO5 |
|---|---|
| Molecular Weight | 273.06 g/mol |
| LogP | 0.49958 |
| Topological Polar Surface Area | 104.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 273.06372 |
| Heavy Atoms | 20 |
| Complexity | 608.2095 |
Chemical Identifiers
| CAS Number | 30511-20-7 |
|---|---|
| SMILES | CCOC(=O)C(C#N)C1(C(=O)C2=CC=CC=C2C1=O)O |
Product Overview
Ethyl 2-cyano-2-(2-hydroxy-1,3-dioxoinden-2-yl)acetate (CAS 30511-20-7), with molecular formula C14H11NO5 and molecular weight 273.06 g/mol. IUPAC: ethyl 2-cyano-2-(2-hydroxy-1,3-dioxoinden-2-yl)acetate.
Chemical Property Profile of Ethyl 2-cyano-2-(2-hydroxy-1,3-dioxoinden-2-yl)acetate
Property Insights of Ethyl 2-cyano-2-(2-hydroxy-1,3-dioxoinden-2-yl)acetate
The XLogP value of 0.49958 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-cyano-2-(2-hydroxy-1,3-dioxoinden-2-yl)acetate. The TPSA of 104.46 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-cyano-2-(2-hydroxy-1,3-dioxoinden-2-yl)acetate. Following Lipinski's Rule of Five, Ethyl 2-cyano-2-(2-hydroxy-1,3-dioxoinden-2-yl)acetate has 1 hydrogen bond donor(s) and 6 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 2-cyano-2-(2-hydroxy-1,3-dioxoinden-2-yl)acetate?
The CAS number of Ethyl 2-cyano-2-(2-hydroxy-1,3-dioxoinden-2-yl)acetate is 30511-20-7.
What is the molecular formula of Ethyl 2-cyano-2-(2-hydroxy-1,3-dioxoinden-2-yl)acetate?
The molecular formula of Ethyl 2-cyano-2-(2-hydroxy-1,3-dioxoinden-2-yl)acetate is C14H11NO5.
What is the molecular weight of Ethyl 2-cyano-2-(2-hydroxy-1,3-dioxoinden-2-yl)acetate?
The molecular weight of Ethyl 2-cyano-2-(2-hydroxy-1,3-dioxoinden-2-yl)acetate is 273.06 g/mol.
Where can I buy Ethyl 2-cyano-2-(2-hydroxy-1,3-dioxoinden-2-yl)acetate?
You can request a quote for Ethyl 2-cyano-2-(2-hydroxy-1,3-dioxoinden-2-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-cyano-2-(2-hydroxy-1,3-dioxoinden-2-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-cyano-2-(2-hydroxy-1,3-dioxoinden-2-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.