![1-[3-(dimethylazaniumyl)propyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-5-oxo-2-thiophen-2-yl-2H-pyrrol-4-olate structure](/static/products/5697/5697-06-3.webp)
1-[3-(dimethylazaniumyl)propyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-5-oxo-2-thiophen-2-yl-2H-pyrrol-4-olate
TL;DR: 1-[3-(dimethylazaniumyl)propyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-5-oxo-2-thiophen-2-yl-2H-pyrrol-4-olate (CAS 5697-06-3) is a chemical compound with molecular formula C19H23N3O3S2 and molecular weight 405.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(dimethylazaniumyl)propyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-5-oxo-2-thiophen-2-yl-2H-pyrrol-4-olate
Also Known As: 1-[3-(dimethylazaniumyl)propyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-5-oxo-2-thiophen-2-yl-2H-pyrrol-4-olate, (E)-{1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-3-ylidene}(2,4-dimethyl-1,3-thiazol-5-yl)methanolate, 1-[3-(Dimethylazaniumyl)propyl]-4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-oxo-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-3-olate
| Molecular Formula | C19H23N3O3S2 |
|---|---|
| Molecular Weight | 405.12 g/mol |
| LogP | 0.73664 |
| Topological Polar Surface Area | 77.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 405.11807 |
| Heavy Atoms | 27 |
| Complexity | 884.157 |
Chemical Identifiers
| CAS Number | 5697-06-3 |
|---|---|
| SMILES | CC1=C(SC(=N1)C)C(=O)C2=C(C(=O)N(C2C3=CC=CS3)CCC[NH+](C)C)[O-] |
Product Overview
1-[3-(dimethylazaniumyl)propyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-5-oxo-2-thiophen-2-yl-2H-pyrrol-4-olate (CAS 5697-06-3), with molecular formula C19H23N3O3S2 and molecular weight 405.12 g/mol. IUPAC: 1-[3-(dimethylazaniumyl)propyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-5-oxo-2-thiophen-2-yl-2H-pyrrol-4-olate.
Chemical Property Profile of 1-[3-(dimethylazaniumyl)propyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-5-oxo-2-thiophen-2-yl-2H-pyrrol-4-olate
Property Insights of 1-[3-(dimethylazaniumyl)propyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-5-oxo-2-thiophen-2-yl-2H-pyrrol-4-olate
The XLogP value of 0.73664 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[3-(dimethylazaniumyl)propyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-5-oxo-2-thiophen-2-yl-2H-pyrrol-4-olate. The TPSA of 77.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[3-(dimethylazaniumyl)propyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-5-oxo-2-thiophen-2-yl-2H-pyrrol-4-olate. Following Lipinski's Rule of Five, 1-[3-(dimethylazaniumyl)propyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-5-oxo-2-thiophen-2-yl-2H-pyrrol-4-olate has 1 hydrogen bond donor(s) and 6 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-[3-(dimethylazaniumyl)propyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-5-oxo-2-thiophen-2-yl-2H-pyrrol-4-olate?
The CAS number of 1-[3-(dimethylazaniumyl)propyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-5-oxo-2-thiophen-2-yl-2H-pyrrol-4-olate is 5697-06-3.
What is the molecular formula of 1-[3-(dimethylazaniumyl)propyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-5-oxo-2-thiophen-2-yl-2H-pyrrol-4-olate?
The molecular formula of 1-[3-(dimethylazaniumyl)propyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-5-oxo-2-thiophen-2-yl-2H-pyrrol-4-olate is C19H23N3O3S2.
What is the molecular weight of 1-[3-(dimethylazaniumyl)propyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-5-oxo-2-thiophen-2-yl-2H-pyrrol-4-olate?
The molecular weight of 1-[3-(dimethylazaniumyl)propyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-5-oxo-2-thiophen-2-yl-2H-pyrrol-4-olate is 405.12 g/mol.
Where can I buy 1-[3-(dimethylazaniumyl)propyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-5-oxo-2-thiophen-2-yl-2H-pyrrol-4-olate?
You can request a quote for 1-[3-(dimethylazaniumyl)propyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-5-oxo-2-thiophen-2-yl-2H-pyrrol-4-olate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[3-(dimethylazaniumyl)propyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-5-oxo-2-thiophen-2-yl-2H-pyrrol-4-olate?
Yes, KEHONG BIO provides custom synthesis services for 1-[3-(dimethylazaniumyl)propyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-5-oxo-2-thiophen-2-yl-2H-pyrrol-4-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.