Thiazole, 4-isobutyl-, 1,2-ethanedisulfonate (2:1)
TL;DR: Thiazole, 4-isobutyl-, 1,2-ethanedisulfonate (2:1) (CAS 29584-90-5) 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.
Thiazole, 4-isobutyl-, 1,2-ethanedisulfonate (2:1)
ethane-1,2-disulfonic acid;bis(4-(2-methylpropyl)-1,3-thiazole)
Also Known As: 4-Isobutylthiazole 1,2-ethanedisulfonate, Thiazole, 4-isobutyl-, 1,2-ethanedisulfonate (2:1), 1,2-Ethanedisulfonic acid, compd. with 4-isobutylthiazole (1:2), ethane-1,2-disulfonic acid; 4-(2-methylpropyl)-1,3-thiazole, Ethane-1,2-disulfonic acid--4-(2-methylpropyl)-1,3-thiazole (1/2)
| Molecular Formula | C16H28N2O6S4 |
|---|---|
| Molecular Weight | 472.08 g/mol |
| LogP | 3.4452 |
| Topological Polar Surface Area | 208.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 472.083 |
| Heavy Atoms | 28 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 29584-90-5 |
|---|---|
| SMILES | CC(C)CC1=CSC=N1.CC(C)CC1=CSC=N1.C(CS(=O)(=O)O)S(=O)(=O)O |
| InChIKey | SMTCVSUXYSNHFN-UHFFFAOYSA-N |
Product Overview
Thiazole, 4-isobutyl-, 1,2-ethanedisulfonate (2:1) (CAS 29584-90-5), with molecular formula C16H28N2O6S4 and molecular weight 472.08 g/mol. IUPAC: ethane-1,2-disulfonic acid;bis(4-(2-methylpropyl)-1,3-thiazole).
Chemical Property Profile of Thiazole, 4-isobutyl-, 1,2-ethanedisulfonate (2:1)
Property Insights of Thiazole, 4-isobutyl-, 1,2-ethanedisulfonate (2:1)
The XLogP value of 3.4452 indicates that 4-异丁基噻唑1,2-乙二磺酸盐(2:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 208.0 Ų indicates high polarity, suggesting Thiazole, 4-isobutyl-, 1,2-ethanedisulfonate (2:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-异丁基噻唑1,2-乙二磺酸盐(2:1) 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 4-异丁基噻唑1,2-乙二磺酸盐(2:1)?
The CAS number of 4-异丁基噻唑1,2-乙二磺酸盐(2:1) is 29584-90-5.
What is the molecular formula of 4-异丁基噻唑1,2-乙二磺酸盐(2:1)?
The molecular formula of 4-异丁基噻唑1,2-乙二磺酸盐(2:1) is C16H28N2O6S4.
What is the molecular weight of 4-异丁基噻唑1,2-乙二磺酸盐(2:1)?
The molecular weight of 4-异丁基噻唑1,2-乙二磺酸盐(2:1) is 472.08 g/mol.
Where can I buy 4-异丁基噻唑1,2-乙二磺酸盐(2:1)?
You can request a quote for 4-异丁基噻唑1,2-乙二磺酸盐(2:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-异丁基噻唑1,2-乙二磺酸盐(2:1)?
Yes, KEHONG BIO provides custom synthesis services for 4-异丁基噻唑1,2-乙二磺酸盐(2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.