![1-[1-(1,2,3-benzothiadiazol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2,2,2-trifluoro-1-ethanone structure](/static/products/866/866156-74-3.png)
1-[1-(1,2,3-benzothiadiazol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2,2,2-trifluoro-1-ethanone
TL;DR: 1-[1-(1,2,3-benzothiadiazol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2,2,2-trifluoro-1-ethanone (CAS 866156-74-3) is a chemical compound with molecular formula C14H10F3N3OS and molecular weight 325.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-(1,2,3-benzothiadiazol-5-yl)-2,5-dimethylpyrrol-3-yl]-2,2,2-trifluoroethanone
Also Known As: 1-[1-(1,2,3-benzothiadiazol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2,2,2-trifluoro-1-ethanone, 1-[1-(1,2,3-benzothiadiazol-5-yl)-2,5-dimethylpyrrol-3-yl]-2,2,2-trifluoroethanone, 1-[1-(1,2,3-benzothiadiazol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2,2,2-trifluoroethan-1-one
| Molecular Formula | C14H10F3N3OS |
|---|---|
| Molecular Weight | 325.05 g/mol |
| LogP | 3.84384 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 325.04968 |
| Heavy Atoms | 22 |
| Complexity | 879.211 |
Chemical Identifiers
| CAS Number | 866156-74-3 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC3=C(C=C2)SN=N3)C)C(=O)C(F)(F)F |
Product Overview
1-[1-(1,2,3-benzothiadiazol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2,2,2-trifluoro-1-ethanone (CAS 866156-74-3), with molecular formula C14H10F3N3OS and molecular weight 325.05 g/mol. IUPAC: 1-[1-(1,2,3-benzothiadiazol-5-yl)-2,5-dimethylpyrrol-3-yl]-2,2,2-trifluoroethanone.
Chemical Property Profile of 1-[1-(1,2,3-benzothiadiazol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2,2,2-trifluoro-1-ethanone
Property Insights of 1-[1-(1,2,3-benzothiadiazol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2,2,2-trifluoro-1-ethanone
The XLogP value of 3.84384 indicates that 1-[1-(1,2,3-benzothiadiazol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2,2,2-trifluoro-1-ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.78 Ų, 1-[1-(1,2,3-benzothiadiazol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2,2,2-trifluoro-1-ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[1-(1,2,3-benzothiadiazol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2,2,2-trifluoro-1-ethanone has 0 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 1-[1-(1,2,3-benzothiadiazol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2,2,2-trifluoro-1-ethanone?
The CAS number of 1-[1-(1,2,3-benzothiadiazol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2,2,2-trifluoro-1-ethanone is 866156-74-3.
What is the molecular formula of 1-[1-(1,2,3-benzothiadiazol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2,2,2-trifluoro-1-ethanone?
The molecular formula of 1-[1-(1,2,3-benzothiadiazol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2,2,2-trifluoro-1-ethanone is C14H10F3N3OS.
What is the molecular weight of 1-[1-(1,2,3-benzothiadiazol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2,2,2-trifluoro-1-ethanone?
The molecular weight of 1-[1-(1,2,3-benzothiadiazol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2,2,2-trifluoro-1-ethanone is 325.05 g/mol.
Where can I buy 1-[1-(1,2,3-benzothiadiazol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2,2,2-trifluoro-1-ethanone?
You can request a quote for 1-[1-(1,2,3-benzothiadiazol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2,2,2-trifluoro-1-ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[1-(1,2,3-benzothiadiazol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2,2,2-trifluoro-1-ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[1-(1,2,3-benzothiadiazol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2,2,2-trifluoro-1-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.