Methyl 4-iodocubane-1-carboxylate
TL;DR: Methyl 4-iodocubane-1-carboxylate (CAS 122200-58-2) is a chemical compound with molecular formula C10H9IO2 and molecular weight 287.96472 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-iodocubane-1-carboxylate
Also Known As: methyl 4-iodocubane-1-carboxylate, Methyl 4-iodocubanecarboxylate, Methyl 4-iodo-1-cubanecarboxylate, methyl 8-iodocubane-1-carboxylate, methyl (1s,2R,3r,8S)-4-iodocubane-1-carboxylate
Technical Specifications
| Molecular Formula | C10H9IO2 |
| Molecular Weight | 287.96472 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.96472 Da |
| Heavy Atoms | 13 |
| Complexity | 329.0 |
| SMILES | COC(=O)C12C3C4C1C5C2C3C45I |
| InChIKey | YAHYLPAQBZZHKI-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 4-iodocubane-1-carboxylate
Property Insights of Methyl 4-iodocubane-1-carboxylate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-iodocubane-1-carboxylate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 4-iodocubane-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-iodocubane-1-carboxylate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 4-iodocubane-1-carboxylate?
The CAS number of Methyl 4-iodocubane-1-carboxylate is 122200-58-2.
What is the molecular formula of Methyl 4-iodocubane-1-carboxylate?
The molecular formula of Methyl 4-iodocubane-1-carboxylate is C10H9IO2.
What is the molecular weight of Methyl 4-iodocubane-1-carboxylate?
The molecular weight of Methyl 4-iodocubane-1-carboxylate is 287.96472 g/mol.
Where can I buy Methyl 4-iodocubane-1-carboxylate?
You can request a quote for Methyl 4-iodocubane-1-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 4-iodocubane-1-carboxylate?
Yes, CoreyChem provides custom synthesis services for Methyl 4-iodocubane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.