![(3R,7AS)-3-phenyltetrahydropyrrolo[2,1-b]oxazol-5(6H)-one structure](/static/products/133/133007-27-9.webp)
(3R,7AS)-3-phenyltetrahydropyrrolo[2,1-b]oxazol-5(6H)-one
TL;DR: (3R,7AS)-3-phenyltetrahydropyrrolo[2,1-b]oxazol-5(6H)-one (CAS 133007-27-9) is a chemical compound with molecular formula C12H13NO2 and molecular weight 203.09464 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3R,7aS)-3-phenyl-3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazol-5-one
Also Known As: (3R,7AS)-3-phenyltetrahydropyrrolo[2,1-b]oxazol-5(6H)-one, J1.581.251F, (3R,7aS)-3-phenyl-3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazol-5-one, 3-phenyltetrahydropyrrolo[2,1-b]oxazol-5(6H)-one, (3R,7aS)-3-phenyl-hexahydropyrrolo[2,1-b][1,3]oxazol-5-one
Technical Specifications
| Molecular Formula | C12H13NO2 |
| Molecular Weight | 203.09464 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 203.09464 Da |
| Heavy Atoms | 15 |
| Complexity | 260.0 |
| SMILES | C1CC(=O)N2[C@H]1OC[C@H]2C3=CC=CC=C3 |
| InChIKey | CQPBRZXBXFZYBD-JQWIXIFHSA-N |
Chemical Property Profile of (3R,7AS)-3-phenyltetrahydropyrrolo[2,1-b]oxazol-5(6H)-one
Property Insights of (3R,7AS)-3-phenyltetrahydropyrrolo[2,1-b]oxazol-5(6H)-one
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3R,7AS)-3-phenyltetrahydropyrrolo[2,1-b]oxazol-5(6H)-one. With a topological polar surface area (TPSA) of 29.5 Ų, (3R,7AS)-3-phenyltetrahydropyrrolo[2,1-b]oxazol-5(6H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3R,7AS)-3-phenyltetrahydropyrrolo[2,1-b]oxazol-5(6H)-one has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (3R,7AS)-3-phenyltetrahydropyrrolo[2,1-b]oxazol-5(6H)-one?
The CAS number of (3R,7AS)-3-phenyltetrahydropyrrolo[2,1-b]oxazol-5(6H)-one is 133007-27-9.
What is the molecular formula of (3R,7AS)-3-phenyltetrahydropyrrolo[2,1-b]oxazol-5(6H)-one?
The molecular formula of (3R,7AS)-3-phenyltetrahydropyrrolo[2,1-b]oxazol-5(6H)-one is C12H13NO2.
What is the molecular weight of (3R,7AS)-3-phenyltetrahydropyrrolo[2,1-b]oxazol-5(6H)-one?
The molecular weight of (3R,7AS)-3-phenyltetrahydropyrrolo[2,1-b]oxazol-5(6H)-one is 203.09464 g/mol.
Where can I buy (3R,7AS)-3-phenyltetrahydropyrrolo[2,1-b]oxazol-5(6H)-one?
You can request a quote for (3R,7AS)-3-phenyltetrahydropyrrolo[2,1-b]oxazol-5(6H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3R,7AS)-3-phenyltetrahydropyrrolo[2,1-b]oxazol-5(6H)-one?
Yes, CoreyChem provides custom synthesis services for (3R,7AS)-3-phenyltetrahydropyrrolo[2,1-b]oxazol-5(6H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.