Amarolide 11-acetate
TL;DR: Amarolide 11-acetate (CAS 29913-88-0) is a chemical compound with molecular formula C22H30O7 and molecular weight 406.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,4S,6R,7S,9R,13S,14R,16S,17S)-4-hydroxy-2,6,14,17-tetramethyl-3,11,15-trioxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadecan-16-yl] acetate
Also Known As: Amarolide 11-acetate, 11-Acetylamarolide, Acetylamarolide, Amarolide 11-acetic acid, (hydroxy-tetramethyl-trioxo-[?]yl) acetate
| Molecular Formula | C22H30O7 |
|---|---|
| Molecular Weight | 406.20 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 406.19916 |
| Heavy Atoms | 29 |
| Complexity | 790.0 |
Chemical Identifiers
| CAS Number | 29913-88-0 |
|---|---|
| SMILES | C[C@@H]1C[C@@H](C(=O)[C@]2([C@H]1C[C@@H]3[C@@]4([C@@H]2[C@@H](C(=O)[C@@H]([C@@H]4CC(=O)O3)C)OC(=O)C)C)C)O |
| InChIKey | HTUPNZUADSZJNJ-WGRRCHGUSA-N |
Product Overview
Amarolide 11-acetate (CAS 29913-88-0), with molecular formula C22H30O7 and molecular weight 406.20 g/mol. IUPAC: [(1S,2S,4S,6R,7S,9R,13S,14R,16S,17S)-4-hydroxy-2,6,14,17-tetramethyl-3,11,15-trioxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadecan-16-yl] acetate.
Chemical Property Profile of Amarolide 11-acetate
Property Insights of Amarolide 11-acetate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Amarolide 11-acetate. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Amarolide 11-acetate. Following Lipinski's Rule of Five, Amarolide 11-acetate has 1 hydrogen bond donor(s) and 7 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 Amarolide 11-acetate?
The CAS number of Amarolide 11-acetate is 29913-88-0.
What is the molecular formula of Amarolide 11-acetate?
The molecular formula of Amarolide 11-acetate is C22H30O7.
What is the molecular weight of Amarolide 11-acetate?
The molecular weight of Amarolide 11-acetate is 406.20 g/mol.
Where can I buy Amarolide 11-acetate?
You can request a quote for Amarolide 11-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Amarolide 11-acetate?
Yes, KEHONG BIO provides custom synthesis services for Amarolide 11-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.