Ibazole nitrile
TL;DR: Ibazole nitrile (CAS 32563-71-6) is a chemical compound with molecular formula C16H20N4S2 and molecular weight 332.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Ibazole nitrile
4-[5-(4-cyano-2-methylbutan-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-4-methylpentanenitrile
Also Known As: Ibazole nitrile, 4-[5-(4-cyano-2-methylbutan-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-4-methylpentanenitrile, gamma,gamma,gamma',gamma-Tetramethylthiazolo(5,4-d)thiazole-2,5-dibutyronitrile, 4,4'-[1,3]thiazolo[5,4-d][1,3]thiazole-2,5-diylbis(4-methylpentanenitrile), Thiazolo(5,4-d)thiazole-2,5-dibutanenitrile, gamma,gamma,gamma',gamma'-tetramethyl-
| Molecular Formula | C16H20N4S2 |
|---|---|
| Molecular Weight | 332.11 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 332.11295 |
| Heavy Atoms | 22 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 32563-71-6 |
|---|---|
| SMILES | CC(C)(CCC#N)C1=NC2=C(S1)N=C(S2)C(C)(C)CCC#N |
| InChIKey | WNGYDTQZWXGHTI-UHFFFAOYSA-N |
Product Overview
Ibazole nitrile (CAS 32563-71-6), with molecular formula C16H20N4S2 and molecular weight 332.11 g/mol. IUPAC: 4-[5-(4-cyano-2-methylbutan-2-yl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-4-methylpentanenitrile.
Chemical Property Profile of Ibazole nitrile
Property Insights of Ibazole nitrile
The XLogP value of 4.5 indicates that Ibazole nitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ibazole nitrile. Following Lipinski's Rule of Five, Ibazole nitrile has 0 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 Ibazole nitrile?
The CAS number of Ibazole nitrile is 32563-71-6.
What is the molecular formula of Ibazole nitrile?
The molecular formula of Ibazole nitrile is C16H20N4S2.
What is the molecular weight of Ibazole nitrile?
The molecular weight of Ibazole nitrile is 332.11 g/mol.
Where can I buy Ibazole nitrile?
You can request a quote for Ibazole nitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ibazole nitrile?
Yes, KEHONG BIO provides custom synthesis services for Ibazole nitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.