28R-Amoorastatin
TL;DR: 28R-Amoorastatin (CAS 68985-96-6) is a chemical compound with molecular formula C28H36O9 and molecular weight 516.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2R,5S,6S,8R,10R,11S,12R,14R,19S,21R)-6-(furan-3-yl)-12,16,19-trihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicosan-21-yl] acetate
Also Known As: 28R-Amoorastatin, AMOORASTATIN, 24-Norchola-20,22-diene-4-carboxaldehyde, 3-(acetyloxy)-14,15:21,23-diepoxy-1,7,19-trihydroxy-4,8-dimethyl-11-oxo-, cyclic 4,19-hemiacetal, (C(R),1alpha,3alpha,4beta,5alpha,7alpha,13alpha,14beta,15beta,17alpha)-, (1S,3R,4aR,6R,6aS,6bR,7aR,9S,9aS,11aR,11bS)-9-(Furan-3-yl)-1,6,14-trihydroxy-4,6a,9a-trimethyl-11-oxotetradecahydro-1H-4,11b-(methanooxymethano)naphtho[1',2':6,7]indeno[1,7a-b]oxiren-3-yl acetate, 24-Norchola-20,22-diene-4-carboxaldehyde, 3-(acetyloxy)-14,15:21,23-diepoxy-1,7,19-trihydroxy-4,8-dimethyl-11-oxo-, cyclic 4,19-hemiacetal, [1.alpha.,3.alpha.,4.beta.(R),5.alpha.,7.alpha.,13.alpha.,14.beta.,15.beta.,17.alpha.]-
| Molecular Formula | C28H36O9 |
|---|---|
| Molecular Weight | 516.24 g/mol |
| LogP | 1.9245 |
| Topological Polar Surface Area | 138.96 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 516.23596 |
| Heavy Atoms | 37 |
| Complexity | 1166.3687 |
Chemical Identifiers
| CAS Number | 68985-96-6 |
|---|---|
| SMILES | CC(=O)O[C@@H]1C[C@@H]([C@@]23COC(C1([C@@H]2C[C@H]([C@@]4([C@@H]3C(=O)C[C@@]5([C@]46[C@H](O6)C[C@H]5C7=COC=C7)C)C)O)C)O)O |
Product Overview
28R-Amoorastatin (CAS 68985-96-6), with molecular formula C28H36O9 and molecular weight 516.24 g/mol. IUPAC: [(1S,2R,5S,6S,8R,10R,11S,12R,14R,19S,21R)-6-(furan-3-yl)-12,16,19-trihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicosan-21-yl] acetate.
Chemical Property Profile of 28R-Amoorastatin
Property Insights of 28R-Amoorastatin
The XLogP value of 1.9245 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 28R-Amoorastatin. The TPSA of 138.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 28R-Amoorastatin. Following Lipinski's Rule of Five, 28R-Amoorastatin has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 28R-Amoorastatin?
The CAS number of 28R-Amoorastatin is 68985-96-6.
What is the molecular formula of 28R-Amoorastatin?
The molecular formula of 28R-Amoorastatin is C28H36O9.
What is the molecular weight of 28R-Amoorastatin?
The molecular weight of 28R-Amoorastatin is 516.24 g/mol.
Where can I buy 28R-Amoorastatin?
You can request a quote for 28R-Amoorastatin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 28R-Amoorastatin?
Yes, KEHONG BIO provides custom synthesis services for 28R-Amoorastatin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.