Ethyl (3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)acetate
TL;DR: Ethyl (3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)acetate (CAS 64230-54-2) is a chemical compound with molecular formula C12H13NO4 and molecular weight 235.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetate
Also Known As: ethyl 2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetate, J2.933.710A, Ethyl (3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)acetate, ethyl 2-(3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)acetate, 1H-Indole-3-aceticacid, 2,3-dihydro-3-hydroxy-2-oxo-, ethyl ester
| Molecular Formula | C12H13NO4 |
|---|---|
| Molecular Weight | 235.08 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.08446 |
| Heavy Atoms | 17 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 64230-54-2 |
|---|---|
| SMILES | CCOC(=O)CC1(C2=CC=CC=C2NC1=O)O |
| InChIKey | HKUOTYAJDSTUAU-UHFFFAOYSA-N |
Product Overview
Ethyl (3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)acetate (CAS 64230-54-2), with molecular formula C12H13NO4 and molecular weight 235.08 g/mol. IUPAC: ethyl 2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetate.
Chemical Property Profile of Ethyl (3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)acetate
Property Insights of Ethyl (3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)acetate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)acetate. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl (3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)acetate. Following Lipinski's Rule of Five, Ethyl (3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)acetate 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-2-oxo-2,3-dihydro-1H-indol-3-yl)acetate?
The CAS number of Ethyl (3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)acetate is 64230-54-2.
What is the molecular formula of Ethyl (3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)acetate?
The molecular formula of Ethyl (3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)acetate is C12H13NO4.
What is the molecular weight of Ethyl (3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)acetate?
The molecular weight of Ethyl (3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)acetate is 235.08 g/mol.
Where can I buy Ethyl (3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)acetate?
You can request a quote for Ethyl (3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-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 (3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.