A3947/0168106
TL;DR: A3947/0168106 (CAS 1212463-69-8) is a chemical compound with molecular formula C22H18FN3O3 and molecular weight 391.1332 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,3'aR,8'aS,8'bS)-2'-(4-fluorophenyl)spiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione
Also Known As: A3947/0168106, (3S,3'aR,8'aS,8'bS)-2'-(4-fluorophenyl)spiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione, (3S,3a'R,8a'S,8b'S)-2'-(4-fluorophenyl)-6',7',8',8a'-tetrahydro-1'H-spiro[indoline-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(2'H,3a'H,8b'H)-trione
Technical Specifications
| Molecular Formula | C22H18FN3O3 |
| Molecular Weight | 391.1332 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 69.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 391.1332 Da |
| Heavy Atoms | 29 |
| Complexity | 766.0 |
| SMILES | C1C[C@H]2[C@@H]3[C@@H](C(=O)N(C3=O)C4=CC=C(C=C4)F)[C@]5(N2C1)C6=CC=CC=C6NC5=O |
| InChIKey | NPVGNYPQZCUENW-RQXXJAGISA-N |
Chemical Property Profile of A3947/0168106
Property Insights of A3947/0168106
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3947/0168106. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for A3947/0168106. Following Lipinski's Rule of Five, A3947/0168106 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of A3947/0168106?
The CAS number of A3947/0168106 is 1212463-69-8.
What is the molecular formula of A3947/0168106?
The molecular formula of A3947/0168106 is C22H18FN3O3.
What is the molecular weight of A3947/0168106?
The molecular weight of A3947/0168106 is 391.1332 g/mol.
Where can I buy A3947/0168106?
You can request a quote for A3947/0168106 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for A3947/0168106?
Yes, CoreyChem provides custom synthesis services for A3947/0168106 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.