4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-o-tolyl-
TL;DR: 4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-o-tolyl- (CAS 3369-50-4) is a chemical compound with molecular formula C20H22N2O4 and molecular weight 354.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2-benzamido-4-methylpentanoyl)amino] benzoate
Also Known As: 4,5,6,7-Tetrahydro-2-o-tolyl-4-benzothiazolecarboxylic acid, [(2-benzamido-4-methylpentanoyl)amino] benzoate, o-Tolyl-2 carboxy-4 tetrahydro-4,5,6,7 benzothiazole, 4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-o-tolyl-, o-Tolyl-2 carboxy-4 tetrahydro-4,5,6,7 benzothiazole [French]
| Molecular Formula | C20H22N2O4 |
|---|---|
| Molecular Weight | 354.16 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 354.15796 |
| Heavy Atoms | 26 |
| Complexity | 480.0 |
Chemical Identifiers
| CAS Number | 3369-50-4 |
|---|---|
| SMILES | CC(C)CC(C(=O)NOC(=O)C1=CC=CC=C1)NC(=O)C2=CC=CC=C2 |
| InChIKey | FUSCRTKCQYGJDN-UHFFFAOYSA-N |
Product Overview
4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-o-tolyl- (CAS 3369-50-4), with molecular formula C20H22N2O4 and molecular weight 354.16 g/mol. IUPAC: [(2-benzamido-4-methylpentanoyl)amino] benzoate.
Chemical Property Profile of 4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-o-tolyl-
Property Insights of 4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-o-tolyl-
The XLogP value of 4.0 indicates that 4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-o-tolyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-o-tolyl-. Following Lipinski's Rule of Five, 4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-o-tolyl- has 2 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-o-tolyl-?
The CAS number of 4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-o-tolyl- is 3369-50-4.
What is the molecular formula of 4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-o-tolyl-?
The molecular formula of 4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-o-tolyl- is C20H22N2O4.
What is the molecular weight of 4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-o-tolyl-?
The molecular weight of 4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-o-tolyl- is 354.16 g/mol.
Where can I buy 4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-o-tolyl-?
You can request a quote for 4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-o-tolyl- 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-o-tolyl-?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-o-tolyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.