2-氰基-2-(2-吲哚啉酮-3-亚基)乙酸乙酯
TL;DR: 2-氰基-2-(2-吲哚啉酮-3-亚基)乙酸乙酯 (CAS 14003-19-1) 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.
2-氰基-2-(2-吲哚啉酮-3-亚基)乙酸乙酯
ethyl 2-cyano-2-(2-oxo-1H-indol-3-ylidene)acetate
Also Known As: NCIOpen2_005921, (Z)-Ethyl 2-cyano-2-(2-oxoindolin-3-ylidene)acetate, ethyl 2-cyano-2-(2-oxo-1H-indol-3-ylidene)acetate, ethyl 2-(2-oxoindolin-3-ylidene)-2-cyanoacetate, ethyl 2-cyano-2-(2-oxoindolin-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 | 14003-19-1 |
|---|---|
| SMILES | CCOC(=O)C(=C1C2=CC=CC=C2NC1=O)C#N |
| InChIKey | USFZCQWVLYCKDS-UHFFFAOYSA-N |
Product Overview
2-氰基-2-(2-吲哚啉酮-3-亚基)乙酸乙酯 (CAS 14003-19-1), with molecular formula C13H10N2O3 and molecular weight 242.07 g/mol. IUPAC: ethyl 2-cyano-2-(2-oxo-1H-indol-3-ylidene)acetate.
Chemical Property Profile of 2-氰基-2-(2-吲哚啉酮-3-亚基)乙酸乙酯
Property Insights of 2-氰基-2-(2-吲哚啉酮-3-亚基)乙酸乙酯
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-氰基-2-(2-吲哚啉酮-3-亚基)乙酸乙酯. The TPSA of 79.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-氰基-2-(2-吲哚啉酮-3-亚基)乙酸乙酯. Following Lipinski's Rule of Five, 2-氰基-2-(2-吲哚啉酮-3-亚基)乙酸乙酯 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 2-氰基-2-(2-吲哚啉酮-3-亚基)乙酸乙酯?
The CAS number of 2-氰基-2-(2-吲哚啉酮-3-亚基)乙酸乙酯 is 14003-19-1.
What is the molecular formula of 2-氰基-2-(2-吲哚啉酮-3-亚基)乙酸乙酯?
The molecular formula of 2-氰基-2-(2-吲哚啉酮-3-亚基)乙酸乙酯 is C13H10N2O3.
What is the molecular weight of 2-氰基-2-(2-吲哚啉酮-3-亚基)乙酸乙酯?
The molecular weight of 2-氰基-2-(2-吲哚啉酮-3-亚基)乙酸乙酯 is 242.07 g/mol.
Where can I buy 2-氰基-2-(2-吲哚啉酮-3-亚基)乙酸乙酯?
You can request a quote for 2-氰基-2-(2-吲哚啉酮-3-亚基)乙酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氰基-2-(2-吲哚啉酮-3-亚基)乙酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 2-氰基-2-(2-吲哚啉酮-3-亚基)乙酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.