Ibazole methyl ester
TL;DR: Ibazole methyl ester (CAS 33311-50-1) is a chemical compound with molecular formula C18H26N2O4S2 and molecular weight 398.1334 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-[5-(4-methoxy-3,3-dimethyl-4-oxobutyl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-2,2-dimethylbutanoate
Also Known As: Ibazole methyl ester, Dimethyl gamma,gamma,gamma,gamma'-tetramethylthiazolo(5,4-d)thiazole-2,5-dibutyrate, Thiazolo(5,4-d)thiazole-2,5-dibutyric acid, gamma,gamma,gamma',gamma'-tetramethyl-, dimethyl ester, dimethyl 4,4'-[1,3]thiazolo[5,4-d][1,3]thiazole-2,5-diylbis(2,2-dimethylbutanoate), Dimethyl 4,4'-([1,3]thiazolo[5,4-d][1,3]thiazole-2,5-diyl)bis(2,2-dimethylbutanoate)
Technical Specifications
| Molecular Formula | C18H26N2O4S2 |
| Molecular Weight | 398.1334 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 135.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 398.1334 Da |
| Heavy Atoms | 26 |
| Complexity | 481.0 |
| SMILES | CC(C)(CCC1=NC2=C(S1)N=C(S2)CCC(C)(C)C(=O)OC)C(=O)OC |
| InChIKey | GEXJJXJFZFVTFV-UHFFFAOYSA-N |
Chemical Property Profile of Ibazole methyl ester
Property Insights of Ibazole methyl ester
The XLogP value of 4.9 indicates that Ibazole methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ibazole methyl ester. Following Lipinski's Rule of Five, Ibazole methyl ester has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ibazole methyl ester?
The CAS number of Ibazole methyl ester is 33311-50-1.
What is the molecular formula of Ibazole methyl ester?
The molecular formula of Ibazole methyl ester is C18H26N2O4S2.
What is the molecular weight of Ibazole methyl ester?
The molecular weight of Ibazole methyl ester is 398.1334 g/mol.
Where can I buy Ibazole methyl ester?
You can request a quote for Ibazole methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ibazole methyl ester?
Yes, CoreyChem provides custom synthesis services for Ibazole methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.