4,5-Dimethyl-2-isobutylthiazole
TL;DR: 4,5-Dimethyl-2-isobutylthiazole (CAS 53498-32-1) is a chemical compound with molecular formula C9H15NS and molecular weight 169.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dimethyl-2-(2-methylpropyl)-1,3-thiazole
Also Known As: 2-Isobutyl-4,5-dimethylthiazole, geranium thiazole, 4,5-Dimethyl-2-isobutylthiazole, 4,5-DIMETHYL-2-ISOBUTYL THIAZOLE, 4,5-dimethyl-2-(2-methylpropyl)-1,3-thiazole
| Molecular Formula | C9H15NS |
|---|---|
| Molecular Weight | 169.09 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 169.09251 |
| Heavy Atoms | 11 |
| Complexity | 125.0 |
| Density | 0.967-0.975 (20°) |
| Solubility | Practically insoluble to insoluble in water |
| Refractive Index | 1.490-1.498 |
Chemical Identifiers
| CAS Number | 53498-32-1 |
|---|---|
| SMILES | CC1=C(SC(=N1)CC(C)C)C |
| InChIKey | NSVPHVLZAKJSGV-UHFFFAOYSA-N |
Product Overview
4,5-Dimethyl-2-isobutylthiazole (CAS 53498-32-1), with molecular formula C9H15NS and molecular weight 169.09 g/mol. IUPAC: 4,5-dimethyl-2-(2-methylpropyl)-1,3-thiazole.
Chemical Property Profile of 4,5-Dimethyl-2-isobutylthiazole
Property Insights of 4,5-Dimethyl-2-isobutylthiazole
The XLogP value of 3.4 indicates that 4,5-Dimethyl-2-isobutylthiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.1 Ų, 4,5-Dimethyl-2-isobutylthiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Dimethyl-2-isobutylthiazole 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 4,5-Dimethyl-2-isobutylthiazole?
The CAS number of 4,5-Dimethyl-2-isobutylthiazole is 53498-32-1.
What is the molecular formula of 4,5-Dimethyl-2-isobutylthiazole?
The molecular formula of 4,5-Dimethyl-2-isobutylthiazole is C9H15NS.
What is the molecular weight of 4,5-Dimethyl-2-isobutylthiazole?
The molecular weight of 4,5-Dimethyl-2-isobutylthiazole is 169.09 g/mol.
Where can I buy 4,5-Dimethyl-2-isobutylthiazole?
You can request a quote for 4,5-Dimethyl-2-isobutylthiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dimethyl-2-isobutylthiazole?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dimethyl-2-isobutylthiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.