AA-516/12432028
TL;DR: AA-516/12432028 (CAS 141714-82-1) is a chemical compound with molecular formula C16H15NO5S and molecular weight 333.0671 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl) 4-methylbenzenesulfonate
Also Known As: AA-516/12432028, 4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-[[(4-methylphenyl)sulfonyl]oxy]-, 1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl 4-methylbenzenesulfonate, 2-[(4-Methylphenyl)sulfonyloxy]-3a,4,7,7a-tetrahydro-4,7-methano-2H-isoindole-1,3-dione, 3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl 4-methylbenzene-1-sulfonate
Technical Specifications
| Molecular Formula | C16H15NO5S |
| Molecular Weight | 333.0671 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 89.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.0671 Da |
| Heavy Atoms | 23 |
| Complexity | 641.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)ON2C(=O)C3C4CC(C3C2=O)C=C4 |
| InChIKey | IQTRBJRORQFYLN-UHFFFAOYSA-N |
Chemical Property Profile of AA-516/12432028
Property Insights of AA-516/12432028
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AA-516/12432028. The TPSA of 89.1 Ų falls within the moderate polarity range, balancing permeability and solubility for AA-516/12432028. Following Lipinski's Rule of Five, AA-516/12432028 has 0 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 AA-516/12432028?
The CAS number of AA-516/12432028 is 141714-82-1.
What is the molecular formula of AA-516/12432028?
The molecular formula of AA-516/12432028 is C16H15NO5S.
What is the molecular weight of AA-516/12432028?
The molecular weight of AA-516/12432028 is 333.0671 g/mol.
Where can I buy AA-516/12432028?
You can request a quote for AA-516/12432028 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for AA-516/12432028?
Yes, CoreyChem provides custom synthesis services for AA-516/12432028 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.