TL;DR: Amorphispironon E (CAS 139006-28-3) is a chemical compound with molecular formula C23H22O7 and molecular weight 410.13657 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(12R,13R,16S)-3',4'-dimethoxy-5,5-dimethylspiro[6,14,17-trioxatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),3,8-tetraene-13,6'-cyclohexa-2,4-diene]-1',11-dione
Also Known As: Amorphispironon E, amorphispironone, (12R,13R,16S)-3',4'-dimethoxy-5,5-dimethylspiro[6,14,17-trioxatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),3,8-tetraene-13,6'-cyclohexa-2,4-diene]-1',11-dione, (1R,7'aR,10'aS)-4,5-Dimethoxy-3',3'-dimethyl-10',10'a-dihydro-3'H-spiro[cyclohexa-3,5-diene-1,8'-furo[3,4-e]benzo[1,2-b:5,6-b']dipyran]-2,7'(7'aH)-dione, CCRIS 7114
| Molecular Formula | C23H22O7 |
| Molecular Weight | 410.13657 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 410.13657 Da |
| Heavy Atoms | 30 |
| Complexity | 869.0 |
| SMILES | CC1(C=CC2=C(O1)C=CC3=C2O[C@@H]4CO[C@@]5([C@@H]4C3=O)C=C(C(=CC5=O)OC)OC)C |
| InChIKey | SEEWCETYCHIPHH-FHJLPGHOSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Amorphispironon E. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Amorphispironon E. Following Lipinski's Rule of Five, Amorphispironon E has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Amorphispironon E is 139006-28-3.
The molecular formula of Amorphispironon E is C23H22O7.
The molecular weight of Amorphispironon E is 410.13657 g/mol.
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