依他唑酯
TL;DR: 依他唑酯 (CAS 51022-77-6) is a chemical compound with molecular formula C14H19N5O2 and molecular weight 289.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
依他唑酯
ethyl 1-ethyl-4-(2-propan-2-ylidenehydrazinyl)pyrazolo[3,4-b]pyridine-5-carboxylate
Also Known As: etazolate, Etazolato, Etazolatum, Etazolate [INN], Etazolate hydrochloride
| Molecular Formula | C14H19N5O2 |
|---|---|
| Molecular Weight | 289.15 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 289.15387 |
| Heavy Atoms | 21 |
| Complexity | 397.0 |
Chemical Identifiers
| CAS Number | 51022-77-6 |
|---|---|
| SMILES | CCN1C2=NC=C(C(=C2C=N1)NN=C(C)C)C(=O)OCC |
| InChIKey | OPQRBXUBWHDHPQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
依他唑酯 (CAS 51022-77-6), with molecular formula C14H19N5O2 and molecular weight 289.15 g/mol. IUPAC: ethyl 1-ethyl-4-(2-propan-2-ylidenehydrazinyl)pyrazolo[3,4-b]pyridine-5-carboxylate.
Chemical Property Profile of 依他唑酯
Property Insights of 依他唑酯
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 依他唑酯. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 依他唑酯. Following Lipinski's Rule of Five, 依他唑酯 has 1 hydrogen bond donor(s) and 6 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 依他唑酯?
The CAS number of 依他唑酯 is 51022-77-6.
What is the molecular formula of 依他唑酯?
The molecular formula of 依他唑酯 is C14H19N5O2.
What is the molecular weight of 依他唑酯?
The molecular weight of 依他唑酯 is 289.15 g/mol.
Where can I buy 依他唑酯?
You can request a quote for 依他唑酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 依他唑酯?
Yes, KEHONG BIO provides custom synthesis services for 依他唑酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.