20-O-Acetylingenol-3-angelate
TL;DR: 20-O-Acetylingenol-3-angelate (CAS 82425-35-2) is a chemical compound with molecular formula C27H36O7 and molecular weight 472.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,4S,5S,6R,9S,10R,12R,14R)-7-(acetyloxymethyl)-5,6-dihydroxy-3,11,11,14-tetramethyl-15-oxo-4-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] (Z)-2-methylbut-2-enoate
Also Known As: 20-O-Acetylingenol-3-angelate, Euphorbia factor Pe1, HY-N0868, ulen-6-yl (Z)-2-methylbut-2-enoate, [(1S,4S,5S,6R,9S,10R,12R,14R)-7-(acetyloxymethyl)-5,6-dihydroxy-3,11,11,14-tetramethyl-15-oxo-4-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] (Z)-2-methylbut-2-enoate
| Molecular Formula | C27H36O7 |
|---|---|
| Molecular Weight | 472.25 g/mol |
| LogP | 2.9031 |
| Topological Polar Surface Area | 110.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 472.2461 |
| Heavy Atoms | 34 |
| Complexity | 1033.5789 |
Chemical Identifiers
| CAS Number | 82425-35-2 |
|---|---|
| SMILES | C/C=C(/C)\C(=O)O[C@H]1C(=C[C@@]23[C@@]1([C@@H](C(=C[C@H](C2=O)[C@H]4[C@H](C4(C)C)C[C@H]3C)COC(=O)C)O)O)C |
Product Overview
20-O-Acetylingenol-3-angelate (CAS 82425-35-2), with molecular formula C27H36O7 and molecular weight 472.25 g/mol. IUPAC: [(1S,4S,5S,6R,9S,10R,12R,14R)-7-(acetyloxymethyl)-5,6-dihydroxy-3,11,11,14-tetramethyl-15-oxo-4-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] (Z)-2-methylbut-2-enoate.
Chemical Property Profile of 20-O-Acetylingenol-3-angelate
Property Insights of 20-O-Acetylingenol-3-angelate
The XLogP value of 2.9031 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 20-O-Acetylingenol-3-angelate. The TPSA of 110.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 20-O-Acetylingenol-3-angelate. Following Lipinski's Rule of Five, 20-O-Acetylingenol-3-angelate has 2 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 20-O-Acetylingenol-3-angelate?
The CAS number of 20-O-Acetylingenol-3-angelate is 82425-35-2.
What is the molecular formula of 20-O-Acetylingenol-3-angelate?
The molecular formula of 20-O-Acetylingenol-3-angelate is C27H36O7.
What is the molecular weight of 20-O-Acetylingenol-3-angelate?
The molecular weight of 20-O-Acetylingenol-3-angelate is 472.25 g/mol.
Where can I buy 20-O-Acetylingenol-3-angelate?
You can request a quote for 20-O-Acetylingenol-3-angelate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 20-O-Acetylingenol-3-angelate?
Yes, KEHONG BIO provides custom synthesis services for 20-O-Acetylingenol-3-angelate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.