Acetylhymenograndin
TL;DR: Acetylhymenograndin (CAS 72264-72-3) is a chemical compound with molecular formula C21H28O8 and molecular weight 408.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3aR,5R,5aS,6R,7R,8R,8aS,9aR)-7,8-diacetyloxy-5,8a-dimethyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-6-yl] acetate
Also Known As: Acetylhymenograndin, HYMENOGRANDIN, ACETYL, [(3aR,5R,5aS,6R,7R,8R,8aS,9aR)-7,8-diacetyloxy-5,8a-dimethyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-6-yl] acetate, 5,6,7-Tris(acetyloxy)decahydro-4a,8-dimethyl-3-methyleneazuleno(6,5-b)furan-2(3H)-one (3aR-(3aalpha,4abeta,5beta,6alpha,7alpha,7aalpha,8alpha,9aalpha))-, Azuleno(6,5-b)furan-2(3H)-one, 5,6,7-tris(acetyloxy)decahydro-4a,8-dimethyl-3-methylene-, (3aR-(3aalpha,4abeta,5beta,6alpha,7alpha,7aalpha,8alpha,9aalpha))-
| Molecular Formula | C21H28O8 |
|---|---|
| Molecular Weight | 408.18 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 408.1784 |
| Heavy Atoms | 29 |
| Complexity | 758.0 |
Chemical Identifiers
| CAS Number | 72264-72-3 |
|---|---|
| SMILES | C[C@@H]1C[C@@H]2[C@H](C[C@]3([C@H]1[C@H]([C@H]([C@@H]3OC(=O)C)OC(=O)C)OC(=O)C)C)C(=C)C(=O)O2 |
| InChIKey | MOYXNJHXWIYEQO-KSKIZGMASA-N |
Product Overview
Acetylhymenograndin (CAS 72264-72-3), with molecular formula C21H28O8 and molecular weight 408.18 g/mol. IUPAC: [(3aR,5R,5aS,6R,7R,8R,8aS,9aR)-7,8-diacetyloxy-5,8a-dimethyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-6-yl] acetate.
Chemical Property Profile of Acetylhymenograndin
Property Insights of Acetylhymenograndin
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetylhymenograndin. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetylhymenograndin. Following Lipinski's Rule of Five, Acetylhymenograndin has 0 hydrogen bond donor(s) and 8 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 Acetylhymenograndin?
The CAS number of Acetylhymenograndin is 72264-72-3.
What is the molecular formula of Acetylhymenograndin?
The molecular formula of Acetylhymenograndin is C21H28O8.
What is the molecular weight of Acetylhymenograndin?
The molecular weight of Acetylhymenograndin is 408.18 g/mol.
Where can I buy Acetylhymenograndin?
You can request a quote for Acetylhymenograndin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetylhymenograndin?
Yes, KEHONG BIO provides custom synthesis services for Acetylhymenograndin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.