![2-phenyl-1-[5-(1,4-thiazinan-4-ylcarbonyl)-1H-pyrrol-3-yl]-1-ethanone structure](/static/products/4778/477870-61-4.webp)
2-phenyl-1-[5-(1,4-thiazinan-4-ylcarbonyl)-1H-pyrrol-3-yl]-1-ethanone
TL;DR: 2-phenyl-1-[5-(1,4-thiazinan-4-ylcarbonyl)-1H-pyrrol-3-yl]-1-ethanone (CAS 477870-61-4) is a chemical compound with molecular formula C17H18N2O2S and molecular weight 314.1089 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-phenyl-1-[5-(thiomorpholine-4-carbonyl)-1H-pyrrol-3-yl]ethanone
Also Known As: 2-phenyl-1-[5-(1,4-thiazinan-4-ylcarbonyl)-1H-pyrrol-3-yl]-1-ethanone, 2-phenyl-1-[5-(thiomorpholine-4-carbonyl)-1H-pyrrol-3-yl]ethan-1-one, 2-phenyl-1-[5-(thiomorpholine-4-carbonyl)-1H-pyrrol-3-yl]ethanone, 1R-0072
Technical Specifications
| Molecular Formula | C17H18N2O2S |
| Molecular Weight | 314.1089 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 78.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.1089 Da |
| Heavy Atoms | 22 |
| Complexity | 403.0 |
| SMILES | C1CSCCN1C(=O)C2=CC(=CN2)C(=O)CC3=CC=CC=C3 |
| InChIKey | MPQQRWFZKYVYTA-UHFFFAOYSA-N |
Chemical Property Profile of 2-phenyl-1-[5-(1,4-thiazinan-4-ylcarbonyl)-1H-pyrrol-3-yl]-1-ethanone
Property Insights of 2-phenyl-1-[5-(1,4-thiazinan-4-ylcarbonyl)-1H-pyrrol-3-yl]-1-ethanone
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-phenyl-1-[5-(1,4-thiazinan-4-ylcarbonyl)-1H-pyrrol-3-yl]-1-ethanone. The TPSA of 78.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-phenyl-1-[5-(1,4-thiazinan-4-ylcarbonyl)-1H-pyrrol-3-yl]-1-ethanone. Following Lipinski's Rule of Five, 2-phenyl-1-[5-(1,4-thiazinan-4-ylcarbonyl)-1H-pyrrol-3-yl]-1-ethanone has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-phenyl-1-[5-(1,4-thiazinan-4-ylcarbonyl)-1H-pyrrol-3-yl]-1-ethanone?
The CAS number of 2-phenyl-1-[5-(1,4-thiazinan-4-ylcarbonyl)-1H-pyrrol-3-yl]-1-ethanone is 477870-61-4.
What is the molecular formula of 2-phenyl-1-[5-(1,4-thiazinan-4-ylcarbonyl)-1H-pyrrol-3-yl]-1-ethanone?
The molecular formula of 2-phenyl-1-[5-(1,4-thiazinan-4-ylcarbonyl)-1H-pyrrol-3-yl]-1-ethanone is C17H18N2O2S.
What is the molecular weight of 2-phenyl-1-[5-(1,4-thiazinan-4-ylcarbonyl)-1H-pyrrol-3-yl]-1-ethanone?
The molecular weight of 2-phenyl-1-[5-(1,4-thiazinan-4-ylcarbonyl)-1H-pyrrol-3-yl]-1-ethanone is 314.1089 g/mol.
Where can I buy 2-phenyl-1-[5-(1,4-thiazinan-4-ylcarbonyl)-1H-pyrrol-3-yl]-1-ethanone?
You can request a quote for 2-phenyl-1-[5-(1,4-thiazinan-4-ylcarbonyl)-1H-pyrrol-3-yl]-1-ethanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-phenyl-1-[5-(1,4-thiazinan-4-ylcarbonyl)-1H-pyrrol-3-yl]-1-ethanone?
Yes, CoreyChem provides custom synthesis services for 2-phenyl-1-[5-(1,4-thiazinan-4-ylcarbonyl)-1H-pyrrol-3-yl]-1-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.