4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-o-tolyl-, methyl ester
TL;DR: 4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-o-tolyl-, methyl ester (CAS 38453-85-9) is a chemical compound with molecular formula C16H17NO2S and molecular weight 287.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylate
Also Known As: methyl 2-(2-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylate, Methyl 4,5,6,7-tetrahydro-2-o-tolyl-4-benzothiazolecarboxylate, 4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-o-tolyl-, methyl ester, o-Tolyl-2 carbomethoxy-4 tetrahydro-4,5,6,7 benzothiazole, o-Tolyl-2 carbomethoxy-4 tetrahydro-4,5,6,7 benzothiazole [French]
| Molecular Formula | C16H17NO2S |
|---|---|
| Molecular Weight | 287.10 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.098 |
| Heavy Atoms | 20 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 38453-85-9 |
|---|---|
| SMILES | CC1=CC=CC=C1C2=NC3=C(S2)CCCC3C(=O)OC |
| InChIKey | PVNTUJQKZYGQQG-UHFFFAOYSA-N |
Product Overview
4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-o-tolyl-, methyl ester (CAS 38453-85-9), with molecular formula C16H17NO2S and molecular weight 287.10 g/mol. IUPAC: methyl 2-(2-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylate.
Chemical Property Profile of 4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-o-tolyl-, methyl ester
Property Insights of 4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-o-tolyl-, methyl ester
The XLogP value of 3.6 indicates that 4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-o-tolyl-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-o-tolyl-, methyl ester. Following Lipinski's Rule of Five, 4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-o-tolyl-, methyl ester has 0 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-, methyl ester?
The CAS number of 4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-o-tolyl-, methyl ester is 38453-85-9.
What is the molecular formula of 4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-o-tolyl-, methyl ester?
The molecular formula of 4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-o-tolyl-, methyl ester is C16H17NO2S.
What is the molecular weight of 4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-o-tolyl-, methyl ester?
The molecular weight of 4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-o-tolyl-, methyl ester is 287.10 g/mol.
Where can I buy 4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-o-tolyl-, methyl ester?
You can request a quote for 4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-o-tolyl-, methyl ester 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-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzothiazolecarboxylic acid, 4,5,6,7-tetrahydro-2-o-tolyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.