2-(2-Benzothiazolyl)-5-methylphenol
TL;DR: 2-(2-Benzothiazolyl)-5-methylphenol (CAS 56048-54-5) 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-(1,3-benzothiazol-2-yl)-5-methylphenol
Also Known As: 2-(2-Benzothiazolyl)-5-methylphenol, 2-(1,3-Benzothiazol-2-yl)-5-methylphenol, 2-(BENZO[D]THIAZOL-2-YL)-5-METHYLPHENOL, 2-(2-Hydroxy-4-methylphenyl)benzothiazole, 2-benzothiazol-2-yl-5-methylphenol
| Molecular Formula | C14H11NOS |
|---|---|
| Molecular Weight | 241.06 g/mol |
| LogP | 4.3 |
| 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 | 273.0 |
Chemical Identifiers
| CAS Number | 56048-54-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3S2)O |
| InChIKey | DILRSGGQTSJRST-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(2-Benzothiazolyl)-5-methylphenol (CAS 56048-54-5), with molecular formula C14H11NOS and molecular weight 241.06 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-5-methylphenol.
Chemical Property Profile of 2-(2-Benzothiazolyl)-5-methylphenol
Property Insights of 2-(2-Benzothiazolyl)-5-methylphenol
The XLogP value of 4.3 indicates that 2-(2-Benzothiazolyl)-5-methylphenol 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 2-(2-Benzothiazolyl)-5-methylphenol. Following Lipinski's Rule of Five, 2-(2-Benzothiazolyl)-5-methylphenol 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 2-(2-Benzothiazolyl)-5-methylphenol?
The CAS number of 2-(2-Benzothiazolyl)-5-methylphenol is 56048-54-5.
What is the molecular formula of 2-(2-Benzothiazolyl)-5-methylphenol?
The molecular formula of 2-(2-Benzothiazolyl)-5-methylphenol is C14H11NOS.
What is the molecular weight of 2-(2-Benzothiazolyl)-5-methylphenol?
The molecular weight of 2-(2-Benzothiazolyl)-5-methylphenol is 241.06 g/mol.
Where can I buy 2-(2-Benzothiazolyl)-5-methylphenol?
You can request a quote for 2-(2-Benzothiazolyl)-5-methylphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Benzothiazolyl)-5-methylphenol?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Benzothiazolyl)-5-methylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.