C22H31N3O4
TL;DR: C22H31N3O4 (CAS 1212179-34-4) is a chemical compound with molecular formula C22H31N3O4 and molecular weight 401.23145 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl 4-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbonyl]piperidine-1-carboxylate
Also Known As: tert-butyl 4-((1R,5S)-8-oxo-2,3,4,5,6,8-hexahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3-carbonyl)piperidine-1-carboxylate, tert-butyl 4-{[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonyl}piperidine-1-carboxylate
Technical Specifications
| Molecular Formula | C22H31N3O4 |
| Molecular Weight | 401.23145 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 70.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 401.23145 Da |
| Heavy Atoms | 29 |
| Complexity | 759.0 |
| SMILES | CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N2C[C@H]3C[C@@H](C2)C4=CC=CC(=O)N4C3 |
| InChIKey | GPHATQXQPIKRCD-WBVHZDCISA-N |
Chemical Property Profile of C22H31N3O4
Property Insights of C22H31N3O4
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C22H31N3O4. The TPSA of 70.2 Ų falls within the moderate polarity range, balancing permeability and solubility for C22H31N3O4. Following Lipinski's Rule of Five, C22H31N3O4 has 0 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 C22H31N3O4?
The CAS number of C22H31N3O4 is 1212179-34-4.
What is the molecular formula of C22H31N3O4?
The molecular formula of C22H31N3O4 is C22H31N3O4.
What is the molecular weight of C22H31N3O4?
The molecular weight of C22H31N3O4 is 401.23145 g/mol.
Where can I buy C22H31N3O4?
You can request a quote for C22H31N3O4 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C22H31N3O4?
Yes, CoreyChem provides custom synthesis services for C22H31N3O4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.