TL;DR: Penitrem A, Penicillium paxilli (CAS 12627-35-9) is a chemical compound with molecular formula C37H44ClNO6 and molecular weight 633.2857 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
21-chloro-15,16,33,33-tetramethyl-24-methylidene-10-prop-1-en-2-yl-7,11,32-trioxa-18-azadecacyclo[25.4.2.02,16.05,15.06,8.06,12.017,31.019,30.022,29.025,28]tritriaconta-17(31),19,21,29-tetraene-5,9,28-triol
Also Known As: penitrem A, Tremortin A, Tremortin, Penitrem A, Penicillium paxilli, 21-Chloro-15,16,33,33-tetramethyl-24-methylidene-10-prop-1-en-2-yl-7,11,32-trioxa-18-azadecacyclo[25.4.2.02,16.05,15.06,8.06,12.017,31.019,30.022,29.025,28]tritriaconta-17(31),19,21,29-tetraene-5,9,28-triol
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C37H44ClNO6 |
| Molecular Weight | 633.2857 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 633.2857 Da |
| Heavy Atoms | 45 |
| Complexity | 1420.0 |
| SMILES | CC(=C)C1C(C2C3(O2)C(O1)CCC4(C3(CCC5C4(C6=C7C5OC(C8CC9C8(C1=C7C(=CC(=C1CC9=C)Cl)N6)O)(C)C)C)O)C)O |
| InChIKey | JDUWHZOLEDOQSR-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that Penitrem A, Penicillium paxilli is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Penitrem A, Penicillium paxilli. Following Lipinski's Rule of Five, Penitrem A, Penicillium paxilli has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Penitrem A, Penicillium paxilli is 12627-35-9.
The molecular formula of Penitrem A, Penicillium paxilli is C37H44ClNO6.
The molecular weight of Penitrem A, Penicillium paxilli is 633.2857 g/mol.
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