曲卡唑酯
TL;DR: 曲卡唑酯 (CAS 41094-88-6) is a chemical compound with molecular formula C16H24N4O2 and molecular weight 304.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
曲卡唑酯
ethyl 4-(butylamino)-1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate
Also Known As: Tracazolate, Tracazolatum, Tracazolato, Tracazolate hydrochloride, 3-Acetamidothioanisole
| Molecular Formula | C16H24N4O2 |
|---|---|
| Molecular Weight | 304.19 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 69.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 304.1899 |
| Heavy Atoms | 22 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 41094-88-6 |
|---|---|
| SMILES | CCCCNC1=C2C=NN(C2=NC(=C1C(=O)OCC)C)CC |
| InChIKey | PCTRYMLLRKWXGF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
曲卡唑酯 (CAS 41094-88-6), with molecular formula C16H24N4O2 and molecular weight 304.19 g/mol. IUPAC: ethyl 4-(butylamino)-1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate.
Chemical Property Profile of 曲卡唑酯
Property Insights of 曲卡唑酯
The XLogP value of 3.5 indicates that 曲卡唑酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 曲卡唑酯. Following Lipinski's Rule of Five, 曲卡唑酯 has 1 hydrogen bond donor(s) and 5 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 曲卡唑酯?
The CAS number of 曲卡唑酯 is 41094-88-6.
What is the molecular formula of 曲卡唑酯?
The molecular formula of 曲卡唑酯 is C16H24N4O2.
What is the molecular weight of 曲卡唑酯?
The molecular weight of 曲卡唑酯 is 304.19 g/mol.
Where can I buy 曲卡唑酯?
You can request a quote for 曲卡唑酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 曲卡唑酯?
Yes, KEHONG BIO provides custom synthesis services for 曲卡唑酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.