3-Benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium
TL;DR: 3-Benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium (CAS 4568-71-2) is a chemical compound with molecular formula C13H16NOS+ and molecular weight 234.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-benzyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethanol
Also Known As: CA inhibitor, 2, 3-benzyl-5-4-methylthiazolium, 3-Benzyl-5- -4-methylthiazolium, 5293AH, 3-Benzyl-4-methylthiazolium-5-ethanol
| Molecular Formula | C13H16NOS+ |
|---|---|
| Molecular Weight | 234.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 52.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 234.09526 |
| Heavy Atoms | 16 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 4568-71-2 |
|---|---|
| SMILES | CC1=C(SC=[N+]1CC2=CC=CC=C2)CCO |
| InChIKey | KFFCZLRCIKDJRE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium (CAS 4568-71-2), with molecular formula C13H16NOS+ and molecular weight 234.10 g/mol. IUPAC: 2-(3-benzyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethanol.
Chemical Property Profile of 3-Benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium
Property Insights of 3-Benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium. With a topological polar surface area (TPSA) of 52.4 Ų, 3-Benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium has 1 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 3-Benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium?
The CAS number of 3-Benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium is 4568-71-2.
What is the molecular formula of 3-Benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium?
The molecular formula of 3-Benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium is C13H16NOS+.
What is the molecular weight of 3-Benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium?
The molecular weight of 3-Benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium is 234.10 g/mol.
Where can I buy 3-Benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium?
You can request a quote for 3-Benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.