Perhydroindanpropionic acid
TL;DR: Perhydroindanpropionic acid (CAS 155076-64-5) is a chemical compound with molecular formula C13H20O3 and molecular weight 224.14125 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(3aS,4S,7aS)-7a-methyl-5-oxo-2,3,3a,4,6,7-hexahydro-1H-inden-4-yl]propanoic acid
Also Known As: Perhydroindanpropionic acid, 3-[(3as,4s,7as)-7a-methyl-5-oxooctahydro-1h-inden-4-yl]propanoic acid, 3-(7a-Methyl-5-oxooctahydro-1H-inden-4-yl)propanoic acid, 3-[(3aS,4S,7aS)-7a-methyl-5-oxo-2,3,3a,4,6,7-hexahydro-1H-inden-4-yl]propanoic acid, (3a alpha,4 alpha,7a beta)-octahydro-7a methyl-5-oxo-lH-indene-4-propanoic acid
Technical Specifications
| Molecular Formula | C13H20O3 |
| Molecular Weight | 224.14125 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.14125 Da |
| Heavy Atoms | 16 |
| Complexity | 310.0 |
| SMILES | C[C@@]12CCC[C@H]1[C@@H](C(=O)CC2)CCC(=O)O |
| InChIKey | QSTIBJYLKKHROX-KWBADKCTSA-N |
Chemical Property Profile of Perhydroindanpropionic acid
Property Insights of Perhydroindanpropionic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Perhydroindanpropionic acid. With a topological polar surface area (TPSA) of 54.4 Ų, Perhydroindanpropionic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Perhydroindanpropionic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Perhydroindanpropionic acid?
The CAS number of Perhydroindanpropionic acid is 155076-64-5.
What is the molecular formula of Perhydroindanpropionic acid?
The molecular formula of Perhydroindanpropionic acid is C13H20O3.
What is the molecular weight of Perhydroindanpropionic acid?
The molecular weight of Perhydroindanpropionic acid is 224.14125 g/mol.
Where can I buy Perhydroindanpropionic acid?
You can request a quote for Perhydroindanpropionic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Perhydroindanpropionic acid?
Yes, CoreyChem provides custom synthesis services for Perhydroindanpropionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.