4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-(3-pyridyl)-
TL;DR: 4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-(3-pyridyl)- (CAS 3845-63-4) is a chemical compound with molecular formula C13H12N2O2S and molecular weight 260.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylic acid
Also Known As: 4,5,6,7-Tetrahydro-2-(3-pyridyl)-4-benzothiazolecarboxylic acid, 4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-(3-pyridyl)-, 2-(pyridin-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylic acid, beta-Pyridyl-2 carboxy-4 tetrahydro-4,5,6,7 benzothiazole, beta-Pyridyl-2 carboxy-4 tetrahydro-4,5,6,7 benzothiazole [French]
| Molecular Formula | C13H12N2O2S |
|---|---|
| Molecular Weight | 260.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 91.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 260.06195 |
| Heavy Atoms | 18 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 3845-63-4 |
|---|---|
| SMILES | C1CC(C2=C(C1)SC(=N2)C3=CN=CC=C3)C(=O)O |
| InChIKey | BPUHIGDYOVOKHD-UHFFFAOYSA-N |
Product Overview
4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-(3-pyridyl)- (CAS 3845-63-4), with molecular formula C13H12N2O2S and molecular weight 260.06 g/mol. IUPAC: 2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylic acid.
Chemical Property Profile of 4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-(3-pyridyl)-
Property Insights of 4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-(3-pyridyl)-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-(3-pyridyl)-. The TPSA of 91.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-(3-pyridyl)-. Following Lipinski's Rule of Five, 4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-(3-pyridyl)- has 1 hydrogen bond donor(s) and 5 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-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-(3-pyridyl)-?
The CAS number of 4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-(3-pyridyl)- is 3845-63-4.
What is the molecular formula of 4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-(3-pyridyl)-?
The molecular formula of 4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-(3-pyridyl)- is C13H12N2O2S.
What is the molecular weight of 4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-(3-pyridyl)-?
The molecular weight of 4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-(3-pyridyl)- is 260.06 g/mol.
Where can I buy 4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-(3-pyridyl)-?
You can request a quote for 4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-(3-pyridyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-(3-pyridyl)-?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-(3-pyridyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.