Propan-2-yl 4,8-dioxoadamantane-2-carboxylate
TL;DR: Propan-2-yl 4,8-dioxoadamantane-2-carboxylate (CAS 15782-81-7) is a chemical compound with molecular formula C14H18O4 and molecular weight 250.12051 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
propan-2-yl 4,8-dioxoadamantane-2-carboxylate
Also Known As: propan-2-yl 4,8-dioxoadamantane-2-carboxylate, Isopropyl 4,8-dioxo-2-adamantanecarboxylate, Isopropyl 4,8-dioxo-2-adamantanecarboxylate #, 4,8-Dioxo-2-adamantanecarboxylic acid isopropyl ester, 2-Adamantanecarboxylic acid, 4,8-dioxo-, isopropyl ester
Technical Specifications
| Molecular Formula | C14H18O4 |
| Molecular Weight | 250.12051 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.12051 Da |
| Heavy Atoms | 18 |
| Complexity | 398.0 |
| SMILES | CC(C)OC(=O)C1C2CC3CC(C2=O)CC1C3=O |
| InChIKey | XEOQQLNJGWFWJR-UHFFFAOYSA-N |
Chemical Property Profile of Propan-2-yl 4,8-dioxoadamantane-2-carboxylate
Property Insights of Propan-2-yl 4,8-dioxoadamantane-2-carboxylate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propan-2-yl 4,8-dioxoadamantane-2-carboxylate. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Propan-2-yl 4,8-dioxoadamantane-2-carboxylate. Following Lipinski's Rule of Five, Propan-2-yl 4,8-dioxoadamantane-2-carboxylate 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 Propan-2-yl 4,8-dioxoadamantane-2-carboxylate?
The CAS number of Propan-2-yl 4,8-dioxoadamantane-2-carboxylate is 15782-81-7.
What is the molecular formula of Propan-2-yl 4,8-dioxoadamantane-2-carboxylate?
The molecular formula of Propan-2-yl 4,8-dioxoadamantane-2-carboxylate is C14H18O4.
What is the molecular weight of Propan-2-yl 4,8-dioxoadamantane-2-carboxylate?
The molecular weight of Propan-2-yl 4,8-dioxoadamantane-2-carboxylate is 250.12051 g/mol.
Where can I buy Propan-2-yl 4,8-dioxoadamantane-2-carboxylate?
You can request a quote for Propan-2-yl 4,8-dioxoadamantane-2-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Propan-2-yl 4,8-dioxoadamantane-2-carboxylate?
Yes, CoreyChem provides custom synthesis services for Propan-2-yl 4,8-dioxoadamantane-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.