4-Hydroxy-2-(4-methylphenyl)benzothiazole
TL;DR: 4-Hydroxy-2-(4-methylphenyl)benzothiazole (CAS 122589-83-7) is a chemical compound with molecular formula C14H11NOS and molecular weight 241.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylphenyl)-1,3-benzothiazol-4-ol
Also Known As: 4-Hydroxy-2-(4-methylphenyl)benzothiazole, 2-(4-methylphenyl)-1,3-benzothiazol-4-ol, KB 2714, 2-(4-Methylphenyl)-4-benzothiazolol, 4-Benzothiazolol,2-(4-methylphenyl)-
| Molecular Formula | C14H11NOS |
|---|---|
| Molecular Weight | 241.06 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 61.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 241.05614 |
| Heavy Atoms | 17 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 122589-83-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NC3=C(C=CC=C3S2)O |
| InChIKey | XYVBFHRLFOBGMT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Hydroxy-2-(4-methylphenyl)benzothiazole (CAS 122589-83-7), with molecular formula C14H11NOS and molecular weight 241.06 g/mol. IUPAC: 2-(4-methylphenyl)-1,3-benzothiazol-4-ol.
Chemical Property Profile of 4-Hydroxy-2-(4-methylphenyl)benzothiazole
Property Insights of 4-Hydroxy-2-(4-methylphenyl)benzothiazole
The XLogP value of 4.0 indicates that 4-Hydroxy-2-(4-methylphenyl)benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Hydroxy-2-(4-methylphenyl)benzothiazole. Following Lipinski's Rule of Five, 4-Hydroxy-2-(4-methylphenyl)benzothiazole has 1 hydrogen bond donor(s) and 3 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-Hydroxy-2-(4-methylphenyl)benzothiazole?
The CAS number of 4-Hydroxy-2-(4-methylphenyl)benzothiazole is 122589-83-7.
What is the molecular formula of 4-Hydroxy-2-(4-methylphenyl)benzothiazole?
The molecular formula of 4-Hydroxy-2-(4-methylphenyl)benzothiazole is C14H11NOS.
What is the molecular weight of 4-Hydroxy-2-(4-methylphenyl)benzothiazole?
The molecular weight of 4-Hydroxy-2-(4-methylphenyl)benzothiazole is 241.06 g/mol.
Where can I buy 4-Hydroxy-2-(4-methylphenyl)benzothiazole?
You can request a quote for 4-Hydroxy-2-(4-methylphenyl)benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxy-2-(4-methylphenyl)benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-2-(4-methylphenyl)benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.