2-Phenyl-1,3-benzothiazole-6-carboxylic acid
TL;DR: 2-Phenyl-1,3-benzothiazole-6-carboxylic acid (CAS 19989-69-6) is a chemical compound with molecular formula C14H9NO2S and molecular weight 255.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-1,3-benzothiazole-6-carboxylic acid
Also Known As: 2-Phenyl-1,3-benzothiazole-6-carboxylic acid, ChemDiv3_006938, 2-Phenyl-6-benzothiazolecarboxylic acid, 2-phenylbenzothiazole-6-carboxylic acid, IDI1_024848
| Molecular Formula | C14H9NO2S |
|---|---|
| Molecular Weight | 255.04 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.0354 |
| Heavy Atoms | 18 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 19989-69-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)C(=O)O |
| InChIKey | SUBZYLZMYNBQLW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Phenyl-1,3-benzothiazole-6-carboxylic acid (CAS 19989-69-6), with molecular formula C14H9NO2S and molecular weight 255.04 g/mol. IUPAC: 2-phenyl-1,3-benzothiazole-6-carboxylic acid.
Chemical Property Profile of 2-Phenyl-1,3-benzothiazole-6-carboxylic acid
Property Insights of 2-Phenyl-1,3-benzothiazole-6-carboxylic acid
The XLogP value of 3.8 indicates that 2-Phenyl-1,3-benzothiazole-6-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Phenyl-1,3-benzothiazole-6-carboxylic acid. Following Lipinski's Rule of Five, 2-Phenyl-1,3-benzothiazole-6-carboxylic acid has 1 hydrogen bond donor(s) and 4 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-Phenyl-1,3-benzothiazole-6-carboxylic acid?
The CAS number of 2-Phenyl-1,3-benzothiazole-6-carboxylic acid is 19989-69-6.
What is the molecular formula of 2-Phenyl-1,3-benzothiazole-6-carboxylic acid?
The molecular formula of 2-Phenyl-1,3-benzothiazole-6-carboxylic acid is C14H9NO2S.
What is the molecular weight of 2-Phenyl-1,3-benzothiazole-6-carboxylic acid?
The molecular weight of 2-Phenyl-1,3-benzothiazole-6-carboxylic acid is 255.04 g/mol.
Where can I buy 2-Phenyl-1,3-benzothiazole-6-carboxylic acid?
You can request a quote for 2-Phenyl-1,3-benzothiazole-6-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenyl-1,3-benzothiazole-6-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenyl-1,3-benzothiazole-6-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.