5-Oxo-7a-phenyl-hexahydropyrrolo(2,1-b)(1,3)thiazole-3-carboxylic acid
TL;DR: 5-Oxo-7a-phenyl-hexahydropyrrolo(2,1-b)(1,3)thiazole-3-carboxylic acid (CAS 1008946-76-6) is a chemical compound with molecular formula C13H13NO3S and molecular weight 263.0616 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-oxo-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylic acid
Also Known As: 5-oxo-7a-phenyl-hexahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylic acid, 5-oxo-7a-phenylhexahydropyrrolo[2,1-b]thiazole-3-carboxylic acid, 5-oxo-7a-phenylhexahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylic acid, 5-oxo-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylic acid, 2-oxo-5-phenyl-6-thia-1-azabicyclo[3.3.0]octane-8-carboxylic Acid
Technical Specifications
| Molecular Formula | C13H13NO3S |
| Molecular Weight | 263.0616 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 82.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 263.0616 Da |
| Heavy Atoms | 18 |
| Complexity | 380.0 |
| SMILES | C1CC2(N(C1=O)C(CS2)C(=O)O)C3=CC=CC=C3 |
| InChIKey | MYHDKADJYJOFCW-UHFFFAOYSA-N |
Chemical Property Profile of 5-Oxo-7a-phenyl-hexahydropyrrolo(2,1-b)(1,3)thiazole-3-carboxylic acid
Property Insights of 5-Oxo-7a-phenyl-hexahydropyrrolo(2,1-b)(1,3)thiazole-3-carboxylic acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Oxo-7a-phenyl-hexahydropyrrolo(2,1-b)(1,3)thiazole-3-carboxylic acid. The TPSA of 82.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Oxo-7a-phenyl-hexahydropyrrolo(2,1-b)(1,3)thiazole-3-carboxylic acid. Following Lipinski's Rule of Five, 5-Oxo-7a-phenyl-hexahydropyrrolo(2,1-b)(1,3)thiazole-3-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
What is the CAS number of 5-Oxo-7a-phenyl-hexahydropyrrolo(2,1-b)(1,3)thiazole-3-carboxylic acid?
The CAS number of 5-Oxo-7a-phenyl-hexahydropyrrolo(2,1-b)(1,3)thiazole-3-carboxylic acid is 1008946-76-6.
What is the molecular formula of 5-Oxo-7a-phenyl-hexahydropyrrolo(2,1-b)(1,3)thiazole-3-carboxylic acid?
The molecular formula of 5-Oxo-7a-phenyl-hexahydropyrrolo(2,1-b)(1,3)thiazole-3-carboxylic acid is C13H13NO3S.
What is the molecular weight of 5-Oxo-7a-phenyl-hexahydropyrrolo(2,1-b)(1,3)thiazole-3-carboxylic acid?
The molecular weight of 5-Oxo-7a-phenyl-hexahydropyrrolo(2,1-b)(1,3)thiazole-3-carboxylic acid is 263.0616 g/mol.
Where can I buy 5-Oxo-7a-phenyl-hexahydropyrrolo(2,1-b)(1,3)thiazole-3-carboxylic acid?
You can request a quote for 5-Oxo-7a-phenyl-hexahydropyrrolo(2,1-b)(1,3)thiazole-3-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Oxo-7a-phenyl-hexahydropyrrolo(2,1-b)(1,3)thiazole-3-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 5-Oxo-7a-phenyl-hexahydropyrrolo(2,1-b)(1,3)thiazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.