ethyl (2Z)-cyano(2-oxo-1,2-dihydro-3H-indol-3-ylidene)acetate
TL;DR: ethyl (2Z)-cyano(2-oxo-1,2-dihydro-3H-indol-3-ylidene)acetate (CAS 14003-18-0) is a chemical compound with molecular formula C13H10N2O3 and molecular weight 242.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-2-cyano-2-(2-oxo-1H-indol-3-ylidene)acetate
Also Known As: ethyl (2Z)-cyano(2-oxo-1,2-dihydro-3H-indol-3-ylidene)acetate, BAS 00801808, BIM-0047998.P001, J2.669.702F, ethyl (2Z)-2-cyano-2-(2-oxo-1H-indol-3-ylidene)acetate
| Molecular Formula | C13H10N2O3 |
|---|---|
| Molecular Weight | 242.07 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 79.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.06914 |
| Heavy Atoms | 18 |
| Complexity | 458.0 |
Chemical Identifiers
| CAS Number | 14003-18-0 |
|---|---|
| SMILES | CCOC(=O)/C(=C\1/C2=CC=CC=C2NC1=O)/C#N |
| InChIKey | USFZCQWVLYCKDS-LUAWRHEFSA-N |
Product Overview
ethyl (2Z)-cyano(2-oxo-1,2-dihydro-3H-indol-3-ylidene)acetate (CAS 14003-18-0), with molecular formula C13H10N2O3 and molecular weight 242.07 g/mol. IUPAC: ethyl (2Z)-2-cyano-2-(2-oxo-1H-indol-3-ylidene)acetate.
Chemical Property Profile of ethyl (2Z)-cyano(2-oxo-1,2-dihydro-3H-indol-3-ylidene)acetate
Property Insights of ethyl (2Z)-cyano(2-oxo-1,2-dihydro-3H-indol-3-ylidene)acetate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (2Z)-cyano(2-oxo-1,2-dihydro-3H-indol-3-ylidene)acetate. The TPSA of 79.2 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (2Z)-cyano(2-oxo-1,2-dihydro-3H-indol-3-ylidene)acetate. Following Lipinski's Rule of Five, ethyl (2Z)-cyano(2-oxo-1,2-dihydro-3H-indol-3-ylidene)acetate has 1 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 (2Z)-cyano(2-oxo-1,2-dihydro-3H-indol-3-ylidene)acetate?
The CAS number of ethyl (2Z)-cyano(2-oxo-1,2-dihydro-3H-indol-3-ylidene)acetate is 14003-18-0.
What is the molecular formula of ethyl (2Z)-cyano(2-oxo-1,2-dihydro-3H-indol-3-ylidene)acetate?
The molecular formula of ethyl (2Z)-cyano(2-oxo-1,2-dihydro-3H-indol-3-ylidene)acetate is C13H10N2O3.
What is the molecular weight of ethyl (2Z)-cyano(2-oxo-1,2-dihydro-3H-indol-3-ylidene)acetate?
The molecular weight of ethyl (2Z)-cyano(2-oxo-1,2-dihydro-3H-indol-3-ylidene)acetate is 242.07 g/mol.
Where can I buy ethyl (2Z)-cyano(2-oxo-1,2-dihydro-3H-indol-3-ylidene)acetate?
You can request a quote for ethyl (2Z)-cyano(2-oxo-1,2-dihydro-3H-indol-3-ylidene)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (2Z)-cyano(2-oxo-1,2-dihydro-3H-indol-3-ylidene)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (2Z)-cyano(2-oxo-1,2-dihydro-3H-indol-3-ylidene)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.