Ethyl 2-(2-carbamoyl-2-chloro-3-oxoinden-1-ylidene)-2-cyanoacetate
TL;DR: Ethyl 2-(2-carbamoyl-2-chloro-3-oxoinden-1-ylidene)-2-cyanoacetate (CAS 62681-22-5) is a chemical compound with molecular formula C15H11ClN2O4 and molecular weight 318.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2-carbamoyl-2-chloro-3-oxoinden-1-ylidene)-2-cyanoacetate
Also Known As: ethyl 2-(2-carbamoyl-2-chloro-3-oxoinden-1-ylidene)-2-cyanoacetate, Ethyl (2-(aminocarbonyl)-2-chloro-3-oxo-2,3-dihydro-1H-inden-1-ylidene)(cyano)acetate, ETHYL (2Z)-2-(2-CARBAMOYL-2-CHLORO-3-OXO-INDEN-1-YLIDENE)-2-CYANO-ACETATE
| Molecular Formula | C15H11ClN2O4 |
|---|---|
| Molecular Weight | 318.04 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.04074 |
| Heavy Atoms | 22 |
| Complexity | 618.0 |
Chemical Identifiers
| CAS Number | 62681-22-5 |
|---|---|
| SMILES | CCOC(=O)C(=C1C2=CC=CC=C2C(=O)C1(C(=O)N)Cl)C#N |
| InChIKey | IGUXUWANHXBVPW-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(2-carbamoyl-2-chloro-3-oxoinden-1-ylidene)-2-cyanoacetate (CAS 62681-22-5), with molecular formula C15H11ClN2O4 and molecular weight 318.04 g/mol. IUPAC: ethyl 2-(2-carbamoyl-2-chloro-3-oxoinden-1-ylidene)-2-cyanoacetate.
Chemical Property Profile of Ethyl 2-(2-carbamoyl-2-chloro-3-oxoinden-1-ylidene)-2-cyanoacetate
Property Insights of Ethyl 2-(2-carbamoyl-2-chloro-3-oxoinden-1-ylidene)-2-cyanoacetate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(2-carbamoyl-2-chloro-3-oxoinden-1-ylidene)-2-cyanoacetate. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(2-carbamoyl-2-chloro-3-oxoinden-1-ylidene)-2-cyanoacetate. Following Lipinski's Rule of Five, Ethyl 2-(2-carbamoyl-2-chloro-3-oxoinden-1-ylidene)-2-cyanoacetate 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 2-(2-carbamoyl-2-chloro-3-oxoinden-1-ylidene)-2-cyanoacetate?
The CAS number of Ethyl 2-(2-carbamoyl-2-chloro-3-oxoinden-1-ylidene)-2-cyanoacetate is 62681-22-5.
What is the molecular formula of Ethyl 2-(2-carbamoyl-2-chloro-3-oxoinden-1-ylidene)-2-cyanoacetate?
The molecular formula of Ethyl 2-(2-carbamoyl-2-chloro-3-oxoinden-1-ylidene)-2-cyanoacetate is C15H11ClN2O4.
What is the molecular weight of Ethyl 2-(2-carbamoyl-2-chloro-3-oxoinden-1-ylidene)-2-cyanoacetate?
The molecular weight of Ethyl 2-(2-carbamoyl-2-chloro-3-oxoinden-1-ylidene)-2-cyanoacetate is 318.04 g/mol.
Where can I buy Ethyl 2-(2-carbamoyl-2-chloro-3-oxoinden-1-ylidene)-2-cyanoacetate?
You can request a quote for Ethyl 2-(2-carbamoyl-2-chloro-3-oxoinden-1-ylidene)-2-cyanoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(2-carbamoyl-2-chloro-3-oxoinden-1-ylidene)-2-cyanoacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(2-carbamoyl-2-chloro-3-oxoinden-1-ylidene)-2-cyanoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.