6-Benzoyl-12-methyl-13-oxo-9(12)-9(12)-dihomo-18-podocarpanol
TL;DR: 6-Benzoyl-12-methyl-13-oxo-9(12)-9(12)-dihomo-18-podocarpanol (CAS 136565-26-9) is a chemical compound with molecular formula C27H36O4 and molecular weight 424.26135 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(1R,2R,6R,7S,8S,10R,13R)-6-(hydroxymethyl)-2,6,13-trimethyl-12-oxo-8-tetracyclo[11.2.1.01,10.02,7]hexadecanyl] benzoate
Also Known As: Scopadulciol, dulcinol, 6-Benzoyl-12-methyl-13-oxo-9(12)-9(12)-dihomo-18-podocarpanol, [(1R,2R,6R,7S,8S,10R,13R)-6-(Hydroxymethyl)-2,6,13-trimethyl-12-oxo-8-tetracyclo[11.2.1.01,10.02,7]hexadecanyl] benzoate, (4R,4aS,5S,6aR,9R,11aR,11bR)-4-(hydroxymethyl)-4,9,11b-trimethyl-8-oxotetradecahydro-9,11a-methanocyclohepta[a]naphthalen-5-yl benzoate
Technical Specifications
| Molecular Formula | C27H36O4 |
| Molecular Weight | 424.26135 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 424.26135 Da |
| Heavy Atoms | 31 |
| Complexity | 756.0 |
| SMILES | C[C@@]12CC[C@@]3(C1)[C@H](C[C@@H]([C@H]4[C@]3(CCC[C@@]4(C)CO)C)OC(=O)C5=CC=CC=C5)CC2=O |
| InChIKey | CFPMRJFTBKYCRR-WBQBDWMHSA-N |
Chemical Property Profile of 6-Benzoyl-12-methyl-13-oxo-9(12)-9(12)-dihomo-18-podocarpanol
Property Insights of 6-Benzoyl-12-methyl-13-oxo-9(12)-9(12)-dihomo-18-podocarpanol
The XLogP value of 5.3 indicates that 6-Benzoyl-12-methyl-13-oxo-9(12)-9(12)-dihomo-18-podocarpanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Benzoyl-12-methyl-13-oxo-9(12)-9(12)-dihomo-18-podocarpanol. Following Lipinski's Rule of Five, 6-Benzoyl-12-methyl-13-oxo-9(12)-9(12)-dihomo-18-podocarpanol has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 6-Benzoyl-12-methyl-13-oxo-9(12)-9(12)-dihomo-18-podocarpanol?
The CAS number of 6-Benzoyl-12-methyl-13-oxo-9(12)-9(12)-dihomo-18-podocarpanol is 136565-26-9.
What is the molecular formula of 6-Benzoyl-12-methyl-13-oxo-9(12)-9(12)-dihomo-18-podocarpanol?
The molecular formula of 6-Benzoyl-12-methyl-13-oxo-9(12)-9(12)-dihomo-18-podocarpanol is C27H36O4.
What is the molecular weight of 6-Benzoyl-12-methyl-13-oxo-9(12)-9(12)-dihomo-18-podocarpanol?
The molecular weight of 6-Benzoyl-12-methyl-13-oxo-9(12)-9(12)-dihomo-18-podocarpanol is 424.26135 g/mol.
Where can I buy 6-Benzoyl-12-methyl-13-oxo-9(12)-9(12)-dihomo-18-podocarpanol?
You can request a quote for 6-Benzoyl-12-methyl-13-oxo-9(12)-9(12)-dihomo-18-podocarpanol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Benzoyl-12-methyl-13-oxo-9(12)-9(12)-dihomo-18-podocarpanol?
Yes, CoreyChem provides custom synthesis services for 6-Benzoyl-12-methyl-13-oxo-9(12)-9(12)-dihomo-18-podocarpanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.