![2-[1-(1,2,3-benzothiadiazol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoacetic acid structure](/static/products/866/866156-84-5.png)
2-[1-(1,2,3-benzothiadiazol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoacetic acid
TL;DR: 2-[1-(1,2,3-benzothiadiazol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoacetic acid (CAS 866156-84-5) is a chemical compound with molecular formula C14H11N3O3S and molecular weight 301.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(1,2,3-benzothiadiazol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoacetic acid
Also Known As: 2-[1-(1,2,3-benzothiadiazol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoacetic acid, 2-[1-(1,2,3-benzothiadiazol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoacetic acid, [1-(1,2,3-benzothiadiazol-5-yl)-2,5-dimethylpyrrol-3-yl](oxo)acetic acid, 2-[1-(1,2,3-benzothiadiazol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoaceticacid
| Molecular Formula | C14H11N3O3S |
|---|---|
| Molecular Weight | 301.05 g/mol |
| LogP | 2.36614 |
| Topological Polar Surface Area | 85.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.05212 |
| Heavy Atoms | 21 |
| Complexity | 878.8519 |
Chemical Identifiers
| CAS Number | 866156-84-5 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC3=C(C=C2)SN=N3)C)C(=O)C(=O)O |
Product Overview
2-[1-(1,2,3-benzothiadiazol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoacetic acid (CAS 866156-84-5), with molecular formula C14H11N3O3S and molecular weight 301.05 g/mol. IUPAC: 2-[1-(1,2,3-benzothiadiazol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoacetic acid.
Chemical Property Profile of 2-[1-(1,2,3-benzothiadiazol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoacetic acid
Property Insights of 2-[1-(1,2,3-benzothiadiazol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoacetic acid
The XLogP value of 2.36614 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[1-(1,2,3-benzothiadiazol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoacetic acid. The TPSA of 85.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[1-(1,2,3-benzothiadiazol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoacetic acid. Following Lipinski's Rule of Five, 2-[1-(1,2,3-benzothiadiazol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoacetic acid has 1 hydrogen bond donor(s) and 5 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-(1,2,3-benzothiadiazol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoacetic acid?
The CAS number of 2-[1-(1,2,3-benzothiadiazol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoacetic acid is 866156-84-5.
What is the molecular formula of 2-[1-(1,2,3-benzothiadiazol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoacetic acid?
The molecular formula of 2-[1-(1,2,3-benzothiadiazol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoacetic acid is C14H11N3O3S.
What is the molecular weight of 2-[1-(1,2,3-benzothiadiazol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoacetic acid?
The molecular weight of 2-[1-(1,2,3-benzothiadiazol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoacetic acid is 301.05 g/mol.
Where can I buy 2-[1-(1,2,3-benzothiadiazol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoacetic acid?
You can request a quote for 2-[1-(1,2,3-benzothiadiazol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoacetic 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-(1,2,3-benzothiadiazol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[1-(1,2,3-benzothiadiazol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.