Ethyl 5-(1H-indol-3-yl)isoxazole-3-carboxylate
TL;DR: Ethyl 5-(1H-indol-3-yl)isoxazole-3-carboxylate (CAS 67766-84-1) is a chemical compound with molecular formula C14H12N2O3 and molecular weight 256.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(1H-indol-3-yl)-1,2-oxazole-3-carboxylate
Also Known As: Ethyl 5-(1H-indol-3-yl)isoxazole-3-carboxylate, Ethyl5-(1H-indol-3-yl)isoxazole-3-carboxylate, ethyl 5-indol-3-ylisoxazole-3-carboxylate, ethyl 5-(3-indolyl)isoxazole-3-carboxylate, ethyl 5-(1H-indol-3-yl)-1,2-oxazole-3-carboxylate
| Molecular Formula | C14H12N2O3 |
|---|---|
| Molecular Weight | 256.08 g/mol |
| LogP | 2.9996 |
| Topological Polar Surface Area | 68.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.08478 |
| Heavy Atoms | 19 |
| Complexity | 726.9584 |
Chemical Identifiers
| CAS Number | 67766-84-1 |
|---|---|
| SMILES | CCOC(=O)C1=NOC(=C1)C2=CNC3=CC=CC=C32 |
Product Overview
Ethyl 5-(1H-indol-3-yl)isoxazole-3-carboxylate (CAS 67766-84-1), with molecular formula C14H12N2O3 and molecular weight 256.08 g/mol. IUPAC: ethyl 5-(1H-indol-3-yl)-1,2-oxazole-3-carboxylate.
Chemical Property Profile of Ethyl 5-(1H-indol-3-yl)isoxazole-3-carboxylate
Property Insights of Ethyl 5-(1H-indol-3-yl)isoxazole-3-carboxylate
The XLogP value of 2.9996 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-(1H-indol-3-yl)isoxazole-3-carboxylate. The TPSA of 68.12 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-(1H-indol-3-yl)isoxazole-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-(1H-indol-3-yl)isoxazole-3-carboxylate 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 5-(1H-indol-3-yl)isoxazole-3-carboxylate?
The CAS number of Ethyl 5-(1H-indol-3-yl)isoxazole-3-carboxylate is 67766-84-1.
What is the molecular formula of Ethyl 5-(1H-indol-3-yl)isoxazole-3-carboxylate?
The molecular formula of Ethyl 5-(1H-indol-3-yl)isoxazole-3-carboxylate is C14H12N2O3.
What is the molecular weight of Ethyl 5-(1H-indol-3-yl)isoxazole-3-carboxylate?
The molecular weight of Ethyl 5-(1H-indol-3-yl)isoxazole-3-carboxylate is 256.08 g/mol.
Where can I buy Ethyl 5-(1H-indol-3-yl)isoxazole-3-carboxylate?
You can request a quote for Ethyl 5-(1H-indol-3-yl)isoxazole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-(1H-indol-3-yl)isoxazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-(1H-indol-3-yl)isoxazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.