Thiazole, 5-isopropyl-4-methyl-, 1,2-ethanedisulfonate (1:1), hydrate
TL;DR: Thiazole, 5-isopropyl-4-methyl-, 1,2-ethanedisulfonate (1:1), hydrate (CAS 29584-87-0) is a chemical compound with molecular formula C16H28N2O6S4 and molecular weight 472.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethane-1,2-disulfonic acid;bis(4-methyl-5-propan-2-yl-1,3-thiazole)
Also Known As: 5-Isopropyl-4-methylthiazole 1,2-ethanedisulfonate hydrate, Thiazole, 5-isopropyl-4-methyl-, 1,2-ethanedisulfonate (1:1), hydrate, ethane-1,2-disulfonic acid; 4-methyl-5-propan-2-yl-1,3-thiazole, Ethane-1,2-disulfonic acid--4-methyl-5-(propan-2-yl)-1,3-thiazole (1/2), RefChem:384599
| Molecular Formula | C16H28N2O6S4 |
|---|---|
| Molecular Weight | 472.08 g/mol |
| LogP | 3.91184 |
| Topological Polar Surface Area | 208.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 472.083 |
| Heavy Atoms | 28 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 29584-87-0 |
|---|---|
| SMILES | CC1=C(SC=N1)C(C)C.CC1=C(SC=N1)C(C)C.C(CS(=O)(=O)O)S(=O)(=O)O |
| InChIKey | KTTTVOYTUHNAJW-UHFFFAOYSA-N |
Product Overview
Thiazole, 5-isopropyl-4-methyl-, 1,2-ethanedisulfonate (1:1), hydrate (CAS 29584-87-0), with molecular formula C16H28N2O6S4 and molecular weight 472.08 g/mol. IUPAC: ethane-1,2-disulfonic acid;bis(4-methyl-5-propan-2-yl-1,3-thiazole).
Chemical Property Profile of Thiazole, 5-isopropyl-4-methyl-, 1,2-ethanedisulfonate (1:1), hydrate
Property Insights of Thiazole, 5-isopropyl-4-methyl-, 1,2-ethanedisulfonate (1:1), hydrate
The XLogP value of 3.91184 indicates that Thiazole, 5-isopropyl-4-methyl-, 1,2-ethanedisulfonate (1:1), hydrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 208.0 Ų indicates high polarity, suggesting Thiazole, 5-isopropyl-4-methyl-, 1,2-ethanedisulfonate (1:1), hydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thiazole, 5-isopropyl-4-methyl-, 1,2-ethanedisulfonate (1:1), hydrate has 2 hydrogen bond donor(s) and 10 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 Thiazole, 5-isopropyl-4-methyl-, 1,2-ethanedisulfonate (1:1), hydrate?
The CAS number of Thiazole, 5-isopropyl-4-methyl-, 1,2-ethanedisulfonate (1:1), hydrate is 29584-87-0.
What is the molecular formula of Thiazole, 5-isopropyl-4-methyl-, 1,2-ethanedisulfonate (1:1), hydrate?
The molecular formula of Thiazole, 5-isopropyl-4-methyl-, 1,2-ethanedisulfonate (1:1), hydrate is C16H28N2O6S4.
What is the molecular weight of Thiazole, 5-isopropyl-4-methyl-, 1,2-ethanedisulfonate (1:1), hydrate?
The molecular weight of Thiazole, 5-isopropyl-4-methyl-, 1,2-ethanedisulfonate (1:1), hydrate is 472.08 g/mol.
Where can I buy Thiazole, 5-isopropyl-4-methyl-, 1,2-ethanedisulfonate (1:1), hydrate?
You can request a quote for Thiazole, 5-isopropyl-4-methyl-, 1,2-ethanedisulfonate (1:1), hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiazole, 5-isopropyl-4-methyl-, 1,2-ethanedisulfonate (1:1), hydrate?
Yes, KEHONG BIO provides custom synthesis services for Thiazole, 5-isopropyl-4-methyl-, 1,2-ethanedisulfonate (1:1), hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.