2-(2-Benzothiazolyl)cyclohexanecarboxylic acid
TL;DR: 2-(2-Benzothiazolyl)cyclohexanecarboxylic acid (CAS 332849-44-2) is a chemical compound with molecular formula C14H15NO2S and molecular weight 261.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-yl)cyclohexane-1-carboxylic acid
Also Known As: 2-Benzothiazol-2-yl-cyclohexanecarboxylic acid, 2-(1,3-benzothiazol-2-yl)cyclohexanecarboxylic acid, 2-(1,3-benzothiazol-2-yl)cyclohexane-1-carboxylic acid, BAS 14744250, 2-(2-Benzothiazolyl)cyclohexanecarboxylic acid
| Molecular Formula | C14H15NO2S |
|---|---|
| Molecular Weight | 261.08 g/mol |
| LogP | 3.6547 |
| Topological Polar Surface Area | 50.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.08234 |
| Heavy Atoms | 18 |
| Complexity | 544.9326 |
Chemical Identifiers
| CAS Number | 332849-44-2 |
|---|---|
| SMILES | C1CCC(C(C1)C2=NC3=CC=CC=C3S2)C(=O)O |
Product Overview
2-(2-Benzothiazolyl)cyclohexanecarboxylic acid (CAS 332849-44-2), with molecular formula C14H15NO2S and molecular weight 261.08 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)cyclohexane-1-carboxylic acid.
Chemical Property Profile of 2-(2-Benzothiazolyl)cyclohexanecarboxylic acid
Property Insights of 2-(2-Benzothiazolyl)cyclohexanecarboxylic acid
The XLogP value of 3.6547 indicates that 2-(2-Benzothiazolyl)cyclohexanecarboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.19 Ų, 2-(2-Benzothiazolyl)cyclohexanecarboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Benzothiazolyl)cyclohexanecarboxylic acid has 1 hydrogen bond donor(s) and 3 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-(2-Benzothiazolyl)cyclohexanecarboxylic acid?
The CAS number of 2-(2-Benzothiazolyl)cyclohexanecarboxylic acid is 332849-44-2.
What is the molecular formula of 2-(2-Benzothiazolyl)cyclohexanecarboxylic acid?
The molecular formula of 2-(2-Benzothiazolyl)cyclohexanecarboxylic acid is C14H15NO2S.
What is the molecular weight of 2-(2-Benzothiazolyl)cyclohexanecarboxylic acid?
The molecular weight of 2-(2-Benzothiazolyl)cyclohexanecarboxylic acid is 261.08 g/mol.
Where can I buy 2-(2-Benzothiazolyl)cyclohexanecarboxylic acid?
You can request a quote for 2-(2-Benzothiazolyl)cyclohexanecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Benzothiazolyl)cyclohexanecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Benzothiazolyl)cyclohexanecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.