2-(2'-Hydroxyphenyl)benzothiazole
TL;DR: 2-(2'-Hydroxyphenyl)benzothiazole (CAS 3411-95-8) is a chemical compound with molecular formula C13H9NOS and molecular weight 227.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-yl)phenol
Also Known As: 2-(2-Hydroxyphenyl)benzothiazole, 2-(benzo[d]thiazol-2-yl)phenol, 2-(2-Benzothiazolyl)phenol, 2-(1,3-Benzothiazol-2-yl)phenol, o-(2-Benzothiazolyl)phenol
| Molecular Formula | C13H9NOS |
|---|---|
| Molecular Weight | 227.04 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 61.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.04048 |
| Heavy Atoms | 16 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 3411-95-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)O |
| InChIKey | MVVGSPCXHRFDDR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(2'-Hydroxyphenyl)benzothiazole (CAS 3411-95-8), with molecular formula C13H9NOS and molecular weight 227.04 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)phenol.
Chemical Property Profile of 2-(2'-Hydroxyphenyl)benzothiazole
Property Insights of 2-(2'-Hydroxyphenyl)benzothiazole
The XLogP value of 3.9 indicates that 2-(2'-Hydroxyphenyl)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 2-(2'-Hydroxyphenyl)benzothiazole. Following Lipinski's Rule of Five, 2-(2'-Hydroxyphenyl)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 2-(2'-Hydroxyphenyl)benzothiazole?
The CAS number of 2-(2'-Hydroxyphenyl)benzothiazole is 3411-95-8.
What is the molecular formula of 2-(2'-Hydroxyphenyl)benzothiazole?
The molecular formula of 2-(2'-Hydroxyphenyl)benzothiazole is C13H9NOS.
What is the molecular weight of 2-(2'-Hydroxyphenyl)benzothiazole?
The molecular weight of 2-(2'-Hydroxyphenyl)benzothiazole is 227.04 g/mol.
Where can I buy 2-(2'-Hydroxyphenyl)benzothiazole?
You can request a quote for 2-(2'-Hydroxyphenyl)benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2'-Hydroxyphenyl)benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(2'-Hydroxyphenyl)benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.