Clavicoronic acid
TL;DR: Clavicoronic acid (CAS 139748-98-4) is a chemical compound with molecular formula C15H18O4 and molecular weight 262.1205 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(3aS)-6-formyl-2,2,4-trimethyl-1,3,3a,7a-tetrahydroinden-5-yl]-2-oxoacetic acid
Also Known As: Clavicoronic acid, 2-[(3aS)-6-formyl-2,2,4-trimethyl-1,3,3a,7a-tetrahydroinden-5-yl]-2-oxoacetic acid, (6-Formyl-2,2,4-trimethyl-2,3,3a,7a-tetrahydro-1H-inden-5-yl)(oxo)acetic acid, [(3aS)-6-Formyl-2,2,4-trimethyl-2,3,3a,7a-tetrahydro-1H-inden-5-yl](oxo)acetic acid, 1H-Indene-5-acetic acid, 6-formyl-2,3,3a,7a-tetrahydro-2,2,4-trimethyl-alpha-oxo-, (3aS-cis)-
Technical Specifications
| Molecular Formula | C15H18O4 |
| Molecular Weight | 262.1205 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 71.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.1205 Da |
| Heavy Atoms | 19 |
| Complexity | 522.0 |
| SMILES | CC1=C(C(=CC2[C@@H]1CC(C2)(C)C)C=O)C(=O)C(=O)O |
| InChIKey | FUUQWZJSFLVSPA-HCCKASOXSA-N |
Chemical Property Profile of Clavicoronic acid
Property Insights of Clavicoronic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Clavicoronic acid. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Clavicoronic acid. Following Lipinski's Rule of Five, Clavicoronic acid has 1 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 Clavicoronic acid?
The CAS number of Clavicoronic acid is 139748-98-4.
What is the molecular formula of Clavicoronic acid?
The molecular formula of Clavicoronic acid is C15H18O4.
What is the molecular weight of Clavicoronic acid?
The molecular weight of Clavicoronic acid is 262.1205 g/mol.
Where can I buy Clavicoronic acid?
You can request a quote for Clavicoronic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Clavicoronic acid?
Yes, CoreyChem provides custom synthesis services for Clavicoronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.