![4-imino-8-(methylsulfonyl)-2-(trifluoromethyl)-4H-benzo[4,5]thiazolo[3,2-a]pyrimidine-3-carbonitrile structure](/static/products/503/503558-99-4.png)
4-imino-8-(methylsulfonyl)-2-(trifluoromethyl)-4H-benzo[4,5]thiazolo[3,2-a]pyrimidine-3-carbonitrile
TL;DR: 4-imino-8-(methylsulfonyl)-2-(trifluoromethyl)-4H-benzo[4,5]thiazolo[3,2-a]pyrimidine-3-carbonitrile (CAS 503558-99-4) is a chemical compound with molecular formula C13H7F3N4O2S2 and molecular weight 372.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-imino-8-methylsulfonyl-2-(trifluoromethyl)pyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile
Also Known As: 4-imino-8-(methylsulfonyl)-2-(trifluoromethyl)-4H-benzo[4,5]thiazolo[3,2-a]pyrimidine-3-carbonitrile, 4-Imino-7-methanesulfonyl-2-trifluoromethyl-4H-9-thia-1,4a-diaza-fluorene-3-carbonitrile, 4-Imino-8-(methylsulfonyl)-2-(trifluoromethyl)-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile, 4-Imino-8-(methylsulfonyl)-2-(trifluoromethyl)-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile #, 4-imino-8-methylsulfonyl-2-(trifluoromethyl)pyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile
| Molecular Formula | C13H7F3N4O2S2 |
|---|---|
| Molecular Weight | 372.00 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 1 |
| Exact Mass | 371.99625 |
| Heavy Atoms | 24 |
| Complexity | 816.0 |
Chemical Identifiers
| CAS Number | 503558-99-4 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC2=C(C=C1)N3C(=N)C(=C(N=C3S2)C(F)(F)F)C#N |
| InChIKey | RGSAMJWXOCQTDM-UHFFFAOYSA-N |
Product Overview
4-imino-8-(methylsulfonyl)-2-(trifluoromethyl)-4H-benzo[4,5]thiazolo[3,2-a]pyrimidine-3-carbonitrile (CAS 503558-99-4), with molecular formula C13H7F3N4O2S2 and molecular weight 372.00 g/mol. IUPAC: 4-imino-8-methylsulfonyl-2-(trifluoromethyl)pyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile.
Chemical Property Profile of 4-imino-8-(methylsulfonyl)-2-(trifluoromethyl)-4H-benzo[4,5]thiazolo[3,2-a]pyrimidine-3-carbonitrile
Property Insights of 4-imino-8-(methylsulfonyl)-2-(trifluoromethyl)-4H-benzo[4,5]thiazolo[3,2-a]pyrimidine-3-carbonitrile
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-imino-8-(methylsulfonyl)-2-(trifluoromethyl)-4H-benzo[4,5]thiazolo[3,2-a]pyrimidine-3-carbonitrile. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-imino-8-(methylsulfonyl)-2-(trifluoromethyl)-4H-benzo[4,5]thiazolo[3,2-a]pyrimidine-3-carbonitrile. Following Lipinski's Rule of Five, 4-imino-8-(methylsulfonyl)-2-(trifluoromethyl)-4H-benzo[4,5]thiazolo[3,2-a]pyrimidine-3-carbonitrile has 1 hydrogen bond donor(s) and 9 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 4-imino-8-(methylsulfonyl)-2-(trifluoromethyl)-4H-benzo[4,5]thiazolo[3,2-a]pyrimidine-3-carbonitrile?
The CAS number of 4-imino-8-(methylsulfonyl)-2-(trifluoromethyl)-4H-benzo[4,5]thiazolo[3,2-a]pyrimidine-3-carbonitrile is 503558-99-4.
What is the molecular formula of 4-imino-8-(methylsulfonyl)-2-(trifluoromethyl)-4H-benzo[4,5]thiazolo[3,2-a]pyrimidine-3-carbonitrile?
The molecular formula of 4-imino-8-(methylsulfonyl)-2-(trifluoromethyl)-4H-benzo[4,5]thiazolo[3,2-a]pyrimidine-3-carbonitrile is C13H7F3N4O2S2.
What is the molecular weight of 4-imino-8-(methylsulfonyl)-2-(trifluoromethyl)-4H-benzo[4,5]thiazolo[3,2-a]pyrimidine-3-carbonitrile?
The molecular weight of 4-imino-8-(methylsulfonyl)-2-(trifluoromethyl)-4H-benzo[4,5]thiazolo[3,2-a]pyrimidine-3-carbonitrile is 372.00 g/mol.
Where can I buy 4-imino-8-(methylsulfonyl)-2-(trifluoromethyl)-4H-benzo[4,5]thiazolo[3,2-a]pyrimidine-3-carbonitrile?
You can request a quote for 4-imino-8-(methylsulfonyl)-2-(trifluoromethyl)-4H-benzo[4,5]thiazolo[3,2-a]pyrimidine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-imino-8-(methylsulfonyl)-2-(trifluoromethyl)-4H-benzo[4,5]thiazolo[3,2-a]pyrimidine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-imino-8-(methylsulfonyl)-2-(trifluoromethyl)-4H-benzo[4,5]thiazolo[3,2-a]pyrimidine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.