17-Oxogrindelic acid
TL;DR: 17-Oxogrindelic acid (CAS 151625-35-3) is a chemical compound with molecular formula C20H30O4 and molecular weight 334.21442 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(2'S,4aS,8S,8aS)-7-formyl-2',4,4,8a-tetramethylspiro[2,3,4a,5-tetrahydro-1H-naphthalene-8,5'-oxolane]-2'-yl]acetic acid
Also Known As: 17-Oxogrindelic acid, 17-Oxogrindelate, J2.768.785G, 2-[(2'S,4aS,8S,8aS)-7-formyl-2',4,4,8a-tetramethylspiro[2,3,4a,5-tetrahydro-1H-naphthalene-8,5'-oxolane]-2'-yl]acetic acid, (2S,5S)-2 -Formyl-4,4 aalpha,5,5 ,6 ,7 ,8 ,8 a-octahydro-5,5 ,5 ,8 abeta-tetramethylspiro[furan-2(3H),1 (4 H)-naphthalene]-5-acetic acid
Technical Specifications
| Molecular Formula | C20H30O4 |
| Molecular Weight | 334.21442 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 334.21442 Da |
| Heavy Atoms | 24 |
| Complexity | 592.0 |
| SMILES | C[C@]1(CC[C@@]2(O1)C(=CC[C@@H]3[C@@]2(CCCC3(C)C)C)C=O)CC(=O)O |
| InChIKey | ATEDUZJBBLDWGB-MVJPYGJCSA-N |
Chemical Property Profile of 17-Oxogrindelic acid
Property Insights of 17-Oxogrindelic acid
The XLogP value of 3.4 indicates that 17-Oxogrindelic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 17-Oxogrindelic acid. Following Lipinski's Rule of Five, 17-Oxogrindelic 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 17-Oxogrindelic acid?
The CAS number of 17-Oxogrindelic acid is 151625-35-3.
What is the molecular formula of 17-Oxogrindelic acid?
The molecular formula of 17-Oxogrindelic acid is C20H30O4.
What is the molecular weight of 17-Oxogrindelic acid?
The molecular weight of 17-Oxogrindelic acid is 334.21442 g/mol.
Where can I buy 17-Oxogrindelic acid?
You can request a quote for 17-Oxogrindelic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 17-Oxogrindelic acid?
Yes, CoreyChem provides custom synthesis services for 17-Oxogrindelic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.