ZERO/005082
TL;DR: ZERO/005082 (CAS 1212161-96-0) is a chemical compound with molecular formula C21H19N3O3 and molecular weight 361.14264 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,3R,3aR,6aS)-5-benzyl-1-methylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione
Also Known As: ZERO/005082, (1'R,3'S,3a'S,6a'R)-5'-benzyl-3'-methyl-3',3a'-dihydro-2'H-spiro[indoline-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(5'H,6a'H)-trione, (1S,3R,3aR,6aS)-5-benzyl-1-methylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione
Technical Specifications
| Molecular Formula | C21H19N3O3 |
| Molecular Weight | 361.14264 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 78.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 361.14264 Da |
| Heavy Atoms | 27 |
| Complexity | 674.0 |
| SMILES | C[C@H]1[C@@H]2[C@@H](C(=O)N(C2=O)CC3=CC=CC=C3)[C@@]4(N1)C5=CC=CC=C5NC4=O |
| InChIKey | XFOXJSLOKBYOAR-PLRCWCRUSA-N |
Chemical Property Profile of ZERO/005082
Property Insights of ZERO/005082
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ZERO/005082. The TPSA of 78.5 Ų falls within the moderate polarity range, balancing permeability and solubility for ZERO/005082. Following Lipinski's Rule of Five, ZERO/005082 has 2 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 ZERO/005082?
The CAS number of ZERO/005082 is 1212161-96-0.
What is the molecular formula of ZERO/005082?
The molecular formula of ZERO/005082 is C21H19N3O3.
What is the molecular weight of ZERO/005082?
The molecular weight of ZERO/005082 is 361.14264 g/mol.
Where can I buy ZERO/005082?
You can request a quote for ZERO/005082 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ZERO/005082?
Yes, CoreyChem provides custom synthesis services for ZERO/005082 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.