4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-phenyl-
TL;DR: 4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-phenyl- (CAS 38452-40-3) is a chemical compound with molecular formula C14H13NO2S and molecular weight 259.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylic acid
Also Known As: 2-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylic acid, 4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-phenyl-, 4,5,6,7-Tetrahydro-2-phenyl-4-benzothiazolecarboxylic acid, Phenyl-2 carboxy-4 tetrahydro-4,5,6,7 benzothiazole, Phenyl-2 carboxy-4 tetrahydro-4,5,6,7 benzothiazole [French]
| Molecular Formula | C14H13NO2S |
|---|---|
| Molecular Weight | 259.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.0667 |
| Heavy Atoms | 18 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 38452-40-3 |
|---|---|
| SMILES | C1CC(C2=C(C1)SC(=N2)C3=CC=CC=C3)C(=O)O |
| InChIKey | BIWXJHXYNCFSPY-UHFFFAOYSA-N |
Product Overview
4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-phenyl- (CAS 38452-40-3), with molecular formula C14H13NO2S and molecular weight 259.07 g/mol. IUPAC: 2-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylic acid.
Chemical Property Profile of 4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-phenyl-
Property Insights of 4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-phenyl-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-phenyl-. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-phenyl-. Following Lipinski's Rule of Five, 4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-phenyl- 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 4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-phenyl-?
The CAS number of 4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-phenyl- is 38452-40-3.
What is the molecular formula of 4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-phenyl-?
The molecular formula of 4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-phenyl- is C14H13NO2S.
What is the molecular weight of 4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-phenyl-?
The molecular weight of 4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-phenyl- is 259.07 g/mol.
Where can I buy 4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-phenyl-?
You can request a quote for 4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-phenyl- 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-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.