2-Benzothiazol-2-yl-nicotinic acid
TL;DR: 2-Benzothiazol-2-yl-nicotinic acid (CAS 728-66-5) is a chemical compound with molecular formula C13H8N2O2S and molecular weight 256.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-yl)pyridine-3-carboxylic acid
Also Known As: 2-Benzothiazol-2-yl-nicotinic acid, 2-(benzo[d]thiazol-2-yl)nicotinic acid, TimTec1_007981, 2-(1,3-benzothiazol-2-yl)pyridine-3-carboxylic acid, BAS 05228947
| Molecular Formula | C13H8N2O2S |
|---|---|
| Molecular Weight | 256.03 g/mol |
| LogP | 3.0565 |
| Topological Polar Surface Area | 63.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.03064 |
| Heavy Atoms | 18 |
| Complexity | 703.4443 |
Chemical Identifiers
| CAS Number | 728-66-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC=N3)C(=O)O |
Product Overview
2-Benzothiazol-2-yl-nicotinic acid (CAS 728-66-5), with molecular formula C13H8N2O2S and molecular weight 256.03 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)pyridine-3-carboxylic acid.
Chemical Property Profile of 2-Benzothiazol-2-yl-nicotinic acid
Property Insights of 2-Benzothiazol-2-yl-nicotinic acid
The XLogP value of 3.0565 indicates that 2-Benzothiazol-2-yl-nicotinic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Benzothiazol-2-yl-nicotinic acid. Following Lipinski's Rule of Five, 2-Benzothiazol-2-yl-nicotinic 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-Benzothiazol-2-yl-nicotinic acid?
The CAS number of 2-Benzothiazol-2-yl-nicotinic acid is 728-66-5.
What is the molecular formula of 2-Benzothiazol-2-yl-nicotinic acid?
The molecular formula of 2-Benzothiazol-2-yl-nicotinic acid is C13H8N2O2S.
What is the molecular weight of 2-Benzothiazol-2-yl-nicotinic acid?
The molecular weight of 2-Benzothiazol-2-yl-nicotinic acid is 256.03 g/mol.
Where can I buy 2-Benzothiazol-2-yl-nicotinic acid?
You can request a quote for 2-Benzothiazol-2-yl-nicotinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzothiazol-2-yl-nicotinic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzothiazol-2-yl-nicotinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.