17-Benzoyloxy-11-hydroxy-3,20-dioxo-1,4-pregnadien-21-al hemiacetal
TL;DR: 17-Benzoyloxy-11-hydroxy-3,20-dioxo-1,4-pregnadien-21-al hemiacetal (CAS 130399-79-0) is a chemical compound with molecular formula C28H32O7 and molecular weight 480.2148 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(8S,9S,10R,13S,14S,17R)-17-(2,2-dihydroxyacetyl)-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] benzoate
Also Known As: BHDPA, 17-Benzoyloxy-11-hydroxy-3,20-dioxo-1,4-pregnadien-21-al hemiacetal, 17alpha-Benzoyloxy-11beta-hydroxy-3,20-dioxo-1,4-pregnadien-21-al hemiacetal, [(8S,9S,10R,13S,14S,17R)-17-(2,2-dihydroxyacetyl)-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] benzoate, 11,21,21-Trihydroxy-3,20-dioxopregna-1,4-dien-17-yl benzoate
Technical Specifications
| Molecular Formula | C28H32O7 |
| Molecular Weight | 480.2148 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 121.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 480.2148 Da |
| Heavy Atoms | 35 |
| Complexity | 976.0 |
| SMILES | C[C@]12CC([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)C(O)O)OC(=O)C4=CC=CC=C4)CCC5=CC(=O)C=C[C@]35C)O |
| InChIKey | WOTRZIGJOBXZSH-ZELPCQGESA-N |
Chemical Property Profile of 17-Benzoyloxy-11-hydroxy-3,20-dioxo-1,4-pregnadien-21-al hemiacetal
Property Insights of 17-Benzoyloxy-11-hydroxy-3,20-dioxo-1,4-pregnadien-21-al hemiacetal
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 17-Benzoyloxy-11-hydroxy-3,20-dioxo-1,4-pregnadien-21-al hemiacetal. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 17-Benzoyloxy-11-hydroxy-3,20-dioxo-1,4-pregnadien-21-al hemiacetal. Following Lipinski's Rule of Five, 17-Benzoyloxy-11-hydroxy-3,20-dioxo-1,4-pregnadien-21-al hemiacetal has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 17-Benzoyloxy-11-hydroxy-3,20-dioxo-1,4-pregnadien-21-al hemiacetal?
The CAS number of 17-Benzoyloxy-11-hydroxy-3,20-dioxo-1,4-pregnadien-21-al hemiacetal is 130399-79-0.
What is the molecular formula of 17-Benzoyloxy-11-hydroxy-3,20-dioxo-1,4-pregnadien-21-al hemiacetal?
The molecular formula of 17-Benzoyloxy-11-hydroxy-3,20-dioxo-1,4-pregnadien-21-al hemiacetal is C28H32O7.
What is the molecular weight of 17-Benzoyloxy-11-hydroxy-3,20-dioxo-1,4-pregnadien-21-al hemiacetal?
The molecular weight of 17-Benzoyloxy-11-hydroxy-3,20-dioxo-1,4-pregnadien-21-al hemiacetal is 480.2148 g/mol.
Where can I buy 17-Benzoyloxy-11-hydroxy-3,20-dioxo-1,4-pregnadien-21-al hemiacetal?
You can request a quote for 17-Benzoyloxy-11-hydroxy-3,20-dioxo-1,4-pregnadien-21-al hemiacetal directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 17-Benzoyloxy-11-hydroxy-3,20-dioxo-1,4-pregnadien-21-al hemiacetal?
Yes, CoreyChem provides custom synthesis services for 17-Benzoyloxy-11-hydroxy-3,20-dioxo-1,4-pregnadien-21-al hemiacetal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.