TL;DR: 13-(Hydroxymethyl)podocarpa-8(14),9(11),12-triene-3,12,15-triol (CAS 152564-71-1) is a chemical compound with molecular formula C18H26O4 and molecular weight 306.1831 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,2R,4aS,10aR)-1,7-bis(hydroxymethyl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-2,6-diol
Also Known As: 13-(Hydroxymethyl)podocarpa-8(14),9(11),12-triene-3,12,15-triol, (1R,2R,4aS,10aR)-1,7-bis(hydroxymethyl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-2,6-diol, 13-(Hydroxymethyl)podocarpa-8(14),9(11),12-triene-3alpha,12,15-triol, (1R,2R,4AS,10AR)-1,7-BIS(HYDROXYMETHYL)-1,4A-DIMETHYL-1,2,3,4,4A,9,10,10A-OCTAHYDROPHENANTHRENE-2,6-DIOL, [1,4abeta-Dimethyl-1alpha,7-bis(hydroxymethyl)-1,2,3,4,4a,9,10,10aalpha-octahydrophenanthrene]-2alpha,6-diol
| Molecular Formula | C18H26O4 |
| Molecular Weight | 306.1831 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 80.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 306.1831 Da |
| Heavy Atoms | 22 |
| Complexity | 414.0 |
| SMILES | C[C@]12CC[C@H]([C@@]([C@@H]1CCC3=CC(=C(C=C23)O)CO)(C)CO)O |
| InChIKey | OVWWJPDVMIKQJH-TVFCKZIOSA-N |
The XLogP value of 3.1 indicates that 13-(Hydroxymethyl)podocarpa-8(14),9(11),12-triene-3,12,15-triol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 13-(Hydroxymethyl)podocarpa-8(14),9(11),12-triene-3,12,15-triol. Following Lipinski's Rule of Five, 13-(Hydroxymethyl)podocarpa-8(14),9(11),12-triene-3,12,15-triol has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 13-(Hydroxymethyl)podocarpa-8(14),9(11),12-triene-3,12,15-triol is 152564-71-1.
The molecular formula of 13-(Hydroxymethyl)podocarpa-8(14),9(11),12-triene-3,12,15-triol is C18H26O4.
The molecular weight of 13-(Hydroxymethyl)podocarpa-8(14),9(11),12-triene-3,12,15-triol is 306.1831 g/mol.
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