1-(2-Benzothiazolylmethyl)cyclohexanecarboxylic acid
TL;DR: 1-(2-Benzothiazolylmethyl)cyclohexanecarboxylic acid (CAS 863669-59-4) is a chemical compound with molecular formula C15H17NO2S and molecular weight 275.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylic acid
Also Known As: 1-(1,3-benzothiazol-2-ylmethyl)cyclohexanecarboxylic acid, 1-(benzo[d]thiazol-2-ylmethyl)cyclohexanecarboxylic acid, 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylic acid, 1-(2-Benzothiazolylmethyl)cyclohexanecarboxylic acid, 1-[(1,3-benzothiazol-2-yl)methyl]cyclohexane-1-carboxylic acid
| Molecular Formula | C15H17NO2S |
|---|---|
| Molecular Weight | 275.10 g/mol |
| LogP | 3.8739 |
| Topological Polar Surface Area | 50.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.098 |
| Heavy Atoms | 19 |
| Complexity | 565.9663 |
Chemical Identifiers
| CAS Number | 863669-59-4 |
|---|---|
| SMILES | C1CCC(CC1)(CC2=NC3=CC=CC=C3S2)C(=O)O |
Product Overview
1-(2-Benzothiazolylmethyl)cyclohexanecarboxylic acid (CAS 863669-59-4), with molecular formula C15H17NO2S and molecular weight 275.10 g/mol. IUPAC: 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylic acid.
Chemical Property Profile of 1-(2-Benzothiazolylmethyl)cyclohexanecarboxylic acid
Property Insights of 1-(2-Benzothiazolylmethyl)cyclohexanecarboxylic acid
The XLogP value of 3.8739 indicates that 1-(2-Benzothiazolylmethyl)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, 1-(2-Benzothiazolylmethyl)cyclohexanecarboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Benzothiazolylmethyl)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 1-(2-Benzothiazolylmethyl)cyclohexanecarboxylic acid?
The CAS number of 1-(2-Benzothiazolylmethyl)cyclohexanecarboxylic acid is 863669-59-4.
What is the molecular formula of 1-(2-Benzothiazolylmethyl)cyclohexanecarboxylic acid?
The molecular formula of 1-(2-Benzothiazolylmethyl)cyclohexanecarboxylic acid is C15H17NO2S.
What is the molecular weight of 1-(2-Benzothiazolylmethyl)cyclohexanecarboxylic acid?
The molecular weight of 1-(2-Benzothiazolylmethyl)cyclohexanecarboxylic acid is 275.10 g/mol.
Where can I buy 1-(2-Benzothiazolylmethyl)cyclohexanecarboxylic acid?
You can request a quote for 1-(2-Benzothiazolylmethyl)cyclohexanecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Benzothiazolylmethyl)cyclohexanecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Benzothiazolylmethyl)cyclohexanecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.