ethyl 1H-indazole-3-carboxylate
TL;DR: ethyl 1H-indazole-3-carboxylate (CAS 4498-68-4) is a chemical compound with molecular formula C10H10N2O2 and molecular weight 190.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1H-indazole-3-carboxylate
Also Known As: Ethyl 1H-indazole-3-carboxylate, 1H-Indazole-3-carboxylic acid ethyl ester, 3-Ethoxycarbonylindazole, ethyl1H-indazole-3-carboxylate, ETHYL 3-INDAZOLECARBOXYLATE
| Molecular Formula | C10H10N2O2 |
|---|---|
| Molecular Weight | 190.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 55.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 190.07423 |
| Heavy Atoms | 14 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 4498-68-4 |
|---|---|
| SMILES | CCOC(=O)C1=NNC2=CC=CC=C21 |
| InChIKey | YLKPTYMNELPKOL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ethyl 1H-indazole-3-carboxylate (CAS 4498-68-4), with molecular formula C10H10N2O2 and molecular weight 190.07 g/mol. IUPAC: ethyl 1H-indazole-3-carboxylate.
Chemical Property Profile of ethyl 1H-indazole-3-carboxylate
Property Insights of ethyl 1H-indazole-3-carboxylate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 1H-indazole-3-carboxylate. With a topological polar surface area (TPSA) of 55.0 Ų, ethyl 1H-indazole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 1H-indazole-3-carboxylate has 1 hydrogen bond donor(s) and 3 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 1H-indazole-3-carboxylate?
The CAS number of ethyl 1H-indazole-3-carboxylate is 4498-68-4.
What is the molecular formula of ethyl 1H-indazole-3-carboxylate?
The molecular formula of ethyl 1H-indazole-3-carboxylate is C10H10N2O2.
What is the molecular weight of ethyl 1H-indazole-3-carboxylate?
The molecular weight of ethyl 1H-indazole-3-carboxylate is 190.07 g/mol.
Where can I buy ethyl 1H-indazole-3-carboxylate?
You can request a quote for ethyl 1H-indazole-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 1H-indazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 1H-indazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.