TL;DR: Dictyocarpine compd. with acetone (CAS 93627-25-9) is a chemical compound with molecular formula C29H45NO9 and molecular weight 551.30945 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(14-ethyl-2,4-dihydroxy-6,19-dimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosan-21-yl) acetate;propan-2-one
Also Known As: Dictyocarpine compd. with acetone, (14-Ethyl-2,4-dihydroxy-6,19-dimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosan-21-yl) acetate;propan-2-one
| Molecular Formula | C29H45NO9 |
| Molecular Weight | 551.30945 g/mol |
| XLogP | 1.2911 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 551.30945 Da |
| Heavy Atoms | 39 |
| Complexity | 990.0 |
| SMILES | CCN1CC2(CCC(C34C2C(C5(C31)C6(CC(C7CC4(C6C7O)O)OC)OCO5)OC(=O)C)OC)C.CC(=O)C |
| InChIKey | CVVBPGVNHJSBRP-UHFFFAOYSA-N |
The XLogP value of 1.2911 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dictyocarpine compd. with acetone. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dictyocarpine compd. with acetone. Following Lipinski's Rule of Five, Dictyocarpine compd. with acetone has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Dictyocarpine compd. with acetone is 93627-25-9.
The molecular formula of Dictyocarpine compd. with acetone is C29H45NO9.
The molecular weight of Dictyocarpine compd. with acetone is 551.30945 g/mol.
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