Tetrahydrolimonilic Acid
TL;DR: Tetrahydrolimonilic Acid (CAS 86812-63-7) is a chemical compound with molecular formula C26H34O9 and molecular weight 490.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5,12,16,16-tetramethyl-8,13-dioxo-6-(oxolan-3-yl)-7,10,17,20-tetraoxahexacyclo[12.4.2.01,15.02,12.05,11.09,11]icosan-18-yl]acetic acid
Also Known As: Tetrahydrolimonilic acid, LIMONILIC ACID, TETRAHYDRO, [3,3,5a,9a-Tetramethyl-5,7-dioxo-9-(oxolan-3-yl)dodecahydro-1H-4,11b-(epoxymethano)furo[3',4':5,6]naphtho[2,1-c]oxireno[d]pyran-1-yl]acetic acid, RefChem:188687
| Molecular Formula | C26H34O9 |
|---|---|
| Molecular Weight | 490.22 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 490.22028 |
| Heavy Atoms | 35 |
| Complexity | 1040.0 |
Chemical Identifiers
| CAS Number | 86812-63-7 |
|---|---|
| SMILES | CC1(C2C3C(=O)C4(C(C2(CO3)C(O1)CC(=O)O)CCC5(C46C(O6)C(=O)OC5C7CCOC7)C)C)C |
| InChIKey | OZEAJHBDDILPIM-UHFFFAOYSA-N |
Product Overview
Tetrahydrolimonilic Acid (CAS 86812-63-7), with molecular formula C26H34O9 and molecular weight 490.22 g/mol. IUPAC: 2-[5,12,16,16-tetramethyl-8,13-dioxo-6-(oxolan-3-yl)-7,10,17,20-tetraoxahexacyclo[12.4.2.01,15.02,12.05,11.09,11]icosan-18-yl]acetic acid.
Chemical Property Profile of Tetrahydrolimonilic Acid
Property Insights of Tetrahydrolimonilic Acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tetrahydrolimonilic Acid. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Tetrahydrolimonilic Acid. Following Lipinski's Rule of Five, Tetrahydrolimonilic Acid has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tetrahydrolimonilic Acid?
The CAS number of Tetrahydrolimonilic Acid is 86812-63-7.
What is the molecular formula of Tetrahydrolimonilic Acid?
The molecular formula of Tetrahydrolimonilic Acid is C26H34O9.
What is the molecular weight of Tetrahydrolimonilic Acid?
The molecular weight of Tetrahydrolimonilic Acid is 490.22 g/mol.
Where can I buy Tetrahydrolimonilic Acid?
You can request a quote for Tetrahydrolimonilic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetrahydrolimonilic Acid?
Yes, KEHONG BIO provides custom synthesis services for Tetrahydrolimonilic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.