异丁司特
TL;DR: 异丁司特 (CAS 50847-11-5) is a chemical compound with molecular formula C14H18N2O and molecular weight 230.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异丁司特
2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one
Also Known As: ibudilast, Ketas, Ibudilastum, Eyevinal, Ke Tas
| Molecular Formula | C14H18N2O |
|---|---|
| Molecular Weight | 230.14 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 34.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.1419 |
| Heavy Atoms | 17 |
| Complexity | 288.0 |
| Solubility | 1.79e-01 g/L |
Chemical Identifiers
| CAS Number | 50847-11-5 |
|---|---|
| SMILES | CC(C)C1=NN2C=CC=CC2=C1C(=O)C(C)C |
| InChIKey | ZJVFLBOZORBYFE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
异丁司特 (CAS 50847-11-5), with molecular formula C14H18N2O and molecular weight 230.14 g/mol. IUPAC: 2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one.
Chemical Property Profile of 异丁司特
Property Insights of 异丁司特
The XLogP value of 3.0 indicates that 异丁司特 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.4 Ų, 异丁司特 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 异丁司特 has 0 hydrogen bond donor(s) and 2 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 异丁司特?
The CAS number of 异丁司特 is 50847-11-5.
What is the molecular formula of 异丁司特?
The molecular formula of 异丁司特 is C14H18N2O.
What is the molecular weight of 异丁司特?
The molecular weight of 异丁司特 is 230.14 g/mol.
Where can I buy 异丁司特?
You can request a quote for 异丁司特 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异丁司特?
Yes, KEHONG BIO provides custom synthesis services for 异丁司特 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.