2-(2-formylpyrrol-1-yl)benzothiazole-6-carboxylic Acid
TL;DR: 2-(2-formylpyrrol-1-yl)benzothiazole-6-carboxylic Acid (CAS 4978-08-9) is a chemical compound with molecular formula C13H8N2O3S and molecular weight 272.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-formylpyrrol-1-yl)-1,3-benzothiazole-6-carboxylic acid
Also Known As: 2-(2-formylpyrrol-1-yl)benzothiazole-6-carboxylic Acid, 2-(2-formylpyrrol-1-yl)-1,3-benzothiazole-6-carboxylic acid, 2-(2-Formyl-1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxylic acid
| Molecular Formula | C13H8N2O3S |
|---|---|
| Molecular Weight | 272.03 g/mol |
| LogP | 2.5977 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.02557 |
| Heavy Atoms | 19 |
| Complexity | 788.1416 |
Chemical Identifiers
| CAS Number | 4978-08-9 |
|---|---|
| SMILES | C1=CN(C(=C1)C=O)C2=NC3=C(S2)C=C(C=C3)C(=O)O |
Product Overview
2-(2-formylpyrrol-1-yl)benzothiazole-6-carboxylic Acid (CAS 4978-08-9), with molecular formula C13H8N2O3S and molecular weight 272.03 g/mol. IUPAC: 2-(2-formylpyrrol-1-yl)-1,3-benzothiazole-6-carboxylic acid.
Chemical Property Profile of 2-(2-formylpyrrol-1-yl)benzothiazole-6-carboxylic Acid
Property Insights of 2-(2-formylpyrrol-1-yl)benzothiazole-6-carboxylic Acid
The XLogP value of 2.5977 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-formylpyrrol-1-yl)benzothiazole-6-carboxylic Acid. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-formylpyrrol-1-yl)benzothiazole-6-carboxylic Acid. Following Lipinski's Rule of Five, 2-(2-formylpyrrol-1-yl)benzothiazole-6-carboxylic Acid has 1 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-(2-formylpyrrol-1-yl)benzothiazole-6-carboxylic Acid?
The CAS number of 2-(2-formylpyrrol-1-yl)benzothiazole-6-carboxylic Acid is 4978-08-9.
What is the molecular formula of 2-(2-formylpyrrol-1-yl)benzothiazole-6-carboxylic Acid?
The molecular formula of 2-(2-formylpyrrol-1-yl)benzothiazole-6-carboxylic Acid is C13H8N2O3S.
What is the molecular weight of 2-(2-formylpyrrol-1-yl)benzothiazole-6-carboxylic Acid?
The molecular weight of 2-(2-formylpyrrol-1-yl)benzothiazole-6-carboxylic Acid is 272.03 g/mol.
Where can I buy 2-(2-formylpyrrol-1-yl)benzothiazole-6-carboxylic Acid?
You can request a quote for 2-(2-formylpyrrol-1-yl)benzothiazole-6-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-(2-formylpyrrol-1-yl)benzothiazole-6-carboxylic Acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-formylpyrrol-1-yl)benzothiazole-6-carboxylic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.