Pillaromycin A
TL;DR: Pillaromycin A (CAS 30361-37-6) is a chemical compound with molecular formula C28H30O11 and molecular weight 542.17883 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,2S,4aR,12aR)-3-acetyl-1,2,6,7-tetrahydroxy-4a-[(2S,5S,6S)-5-hydroxy-5-(2-hydroxyacetyl)-6-methyloxan-2-yl]oxy-1,2,12,12a-tetrahydrotetracen-5-one
Also Known As: Pillaromycin A, Pillaromycin-A, HY-N14677, 5-18-04-00243 (Beilstein Handbook Reference), 5(1H)-Naphthacenone, 2,4a,12,12a-tetrahydro-3-acetyl-4a-((tetrahyro-5-hydroxy-5(hydroxyacetyl)-6-methyl-2H-pyran-2-yl)oxy)-1,2,6,7-tetrahydroxy-, (1R-(1-alpha,2-alpha,4a-alpha(2S*,5S*,6S*),12a-alpha))-
Technical Specifications
| Molecular Formula | C28H30O11 |
| Molecular Weight | 542.17883 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 191.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 542.17883 Da |
| Heavy Atoms | 39 |
| Complexity | 1040.0 |
| SMILES | C[C@H]1[C@@](CC[C@@H](O1)O[C@]23C=C([C@@H]([C@@H]([C@H]2CC4=C(C3=O)C(=C5C(=C4)C=CC=C5O)O)O)O)C(=O)C)(C(=O)CO)O |
| InChIKey | XMNPIXXDFQBHOJ-CCQMQQQZSA-N |
Chemical Property Profile of Pillaromycin A
Property Insights of Pillaromycin A
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pillaromycin A. The TPSA of 191.0 Ų indicates high polarity, suggesting Pillaromycin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pillaromycin A has 6 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Pillaromycin A?
The CAS number of Pillaromycin A is 30361-37-6.
What is the molecular formula of Pillaromycin A?
The molecular formula of Pillaromycin A is C28H30O11.
What is the molecular weight of Pillaromycin A?
The molecular weight of Pillaromycin A is 542.17883 g/mol.
Where can I buy Pillaromycin A?
You can request a quote for Pillaromycin A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pillaromycin A?
Yes, CoreyChem provides custom synthesis services for Pillaromycin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.