Ethyl 3-hydroxy-3-(2-oxoindolin-3-ylidene)propanoate
TL;DR: Ethyl 3-hydroxy-3-(2-oxoindolin-3-ylidene)propanoate (CAS 199190-70-0) is a chemical compound with molecular formula C13H13NO4 and molecular weight 247.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(2-hydroxy-1H-indol-3-yl)-3-oxopropanoate
Also Known As: Ethyl 3-(2-hydroxy-1H-indol-3-yl)-3-oxo-propanoate, ethyl 3-(2-hydroxy-1H-indol-3-yl)-3-oxopropanoate, ethyl 3-hydroxy-3-(2-oxo-3-indolinylidene)propionate, Ethyl 3-hydroxy-3-(2-oxoindolin-3-ylidene)propanoate, ethyl (3E)-3-hydroxy-3-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)propanoate
| Molecular Formula | C13H13NO4 |
|---|---|
| Molecular Weight | 247.08 g/mol |
| LogP | 2.0094 |
| Topological Polar Surface Area | 79.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.08446 |
| Heavy Atoms | 18 |
| Complexity | 600.05707 |
Chemical Identifiers
| CAS Number | 199190-70-0 |
|---|---|
| SMILES | CCOC(=O)CC(=O)C1=C(NC2=CC=CC=C21)O |
Product Overview
Ethyl 3-hydroxy-3-(2-oxoindolin-3-ylidene)propanoate (CAS 199190-70-0), with molecular formula C13H13NO4 and molecular weight 247.08 g/mol. IUPAC: ethyl 3-(2-hydroxy-1H-indol-3-yl)-3-oxopropanoate.
Chemical Property Profile of Ethyl 3-hydroxy-3-(2-oxoindolin-3-ylidene)propanoate
Property Insights of Ethyl 3-hydroxy-3-(2-oxoindolin-3-ylidene)propanoate
The XLogP value of 2.0094 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-hydroxy-3-(2-oxoindolin-3-ylidene)propanoate. The TPSA of 79.39 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-hydroxy-3-(2-oxoindolin-3-ylidene)propanoate. Following Lipinski's Rule of Five, Ethyl 3-hydroxy-3-(2-oxoindolin-3-ylidene)propanoate has 2 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 3-hydroxy-3-(2-oxoindolin-3-ylidene)propanoate?
The CAS number of Ethyl 3-hydroxy-3-(2-oxoindolin-3-ylidene)propanoate is 199190-70-0.
What is the molecular formula of Ethyl 3-hydroxy-3-(2-oxoindolin-3-ylidene)propanoate?
The molecular formula of Ethyl 3-hydroxy-3-(2-oxoindolin-3-ylidene)propanoate is C13H13NO4.
What is the molecular weight of Ethyl 3-hydroxy-3-(2-oxoindolin-3-ylidene)propanoate?
The molecular weight of Ethyl 3-hydroxy-3-(2-oxoindolin-3-ylidene)propanoate is 247.08 g/mol.
Where can I buy Ethyl 3-hydroxy-3-(2-oxoindolin-3-ylidene)propanoate?
You can request a quote for Ethyl 3-hydroxy-3-(2-oxoindolin-3-ylidene)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-hydroxy-3-(2-oxoindolin-3-ylidene)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-hydroxy-3-(2-oxoindolin-3-ylidene)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.