![2-(1,3-Benzothiazol-2-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-3-carboxylic acid structure](/static/products/3218/321848-58-2.webp)
2-(1,3-Benzothiazol-2-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-3-carboxylic acid
TL;DR: 2-(1,3-Benzothiazol-2-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-3-carboxylic acid (CAS 321848-58-2) is a chemical compound with molecular formula C16H14N2O3S and molecular weight 314.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzothiazol-2-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Also Known As: BAS 00629359, 2-(1,3-benzothiazol-2-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-3-carboxylic acid, 3-(1,3-benzothiazol-2-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-[(1,3-BENZOTHIAZOL-2-YLAMINO)CARBONYL]BICYCLO[2.2.1]HEPT-5-ENE-2-CARBOXYLIC ACID, bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-[(2-benzothiazolylamino)carbonyl]-
| Molecular Formula | C16H14N2O3S |
|---|---|
| Molecular Weight | 314.07 g/mol |
| LogP | 2.7577 |
| Topological Polar Surface Area | 79.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.0725 |
| Heavy Atoms | 22 |
| Complexity | 764.53973 |
Chemical Identifiers
| CAS Number | 321848-58-2 |
|---|---|
| SMILES | C1C2C=CC1C(C2C(=O)NC3=NC4=CC=CC=C4S3)C(=O)O |
Product Overview
2-(1,3-Benzothiazol-2-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-3-carboxylic acid (CAS 321848-58-2), with molecular formula C16H14N2O3S and molecular weight 314.07 g/mol. IUPAC: 3-(1,3-benzothiazol-2-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid.
Chemical Property Profile of 2-(1,3-Benzothiazol-2-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-3-carboxylic acid
Property Insights of 2-(1,3-Benzothiazol-2-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-3-carboxylic acid
The XLogP value of 2.7577 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-Benzothiazol-2-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-3-carboxylic acid. The TPSA of 79.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Benzothiazol-2-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-3-carboxylic acid. Following Lipinski's Rule of Five, 2-(1,3-Benzothiazol-2-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-3-carboxylic acid 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 2-(1,3-Benzothiazol-2-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-3-carboxylic acid?
The CAS number of 2-(1,3-Benzothiazol-2-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-3-carboxylic acid is 321848-58-2.
What is the molecular formula of 2-(1,3-Benzothiazol-2-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-3-carboxylic acid?
The molecular formula of 2-(1,3-Benzothiazol-2-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-3-carboxylic acid is C16H14N2O3S.
What is the molecular weight of 2-(1,3-Benzothiazol-2-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-3-carboxylic acid?
The molecular weight of 2-(1,3-Benzothiazol-2-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-3-carboxylic acid is 314.07 g/mol.
Where can I buy 2-(1,3-Benzothiazol-2-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-3-carboxylic acid?
You can request a quote for 2-(1,3-Benzothiazol-2-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Benzothiazol-2-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzothiazol-2-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.