(16alpha)-16,17-((1-Phenylethylidene)bis(oxy))pregn-4-ene-3,20-dione
TL;DR: (16alpha)-16,17-((1-Phenylethylidene)bis(oxy))pregn-4-ene-3,20-dione (CAS 1179-87-9) is a chemical compound with molecular formula C29H36O4 and molecular weight 448.26135 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,2S,4R,8S,9S,12S,13R)-8-acetyl-6,9,13-trimethyl-6-phenyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-one
Also Known As: Bovitrol, ALGESTONE ACETOPHENIDE, Droxone Isomer I, Deladroxone, Neolutin
Technical Specifications
| Molecular Formula | C29H36O4 |
| Molecular Weight | 448.26135 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 448.26135 Da |
| Heavy Atoms | 33 |
| Complexity | 901.0 |
| SMILES | CC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(CC[C@H]4[C@H]3CCC5=CC(=O)CC[C@]45C)C)OC(O2)(C)C6=CC=CC=C6 |
| InChIKey | AHBKIEXBQNRDNL-BXXPAUNWSA-N |
Chemical Property Profile of (16alpha)-16,17-((1-Phenylethylidene)bis(oxy))pregn-4-ene-3,20-dione
Property Insights of (16alpha)-16,17-((1-Phenylethylidene)bis(oxy))pregn-4-ene-3,20-dione
The XLogP value of 4.6 indicates that (16alpha)-16,17-((1-Phenylethylidene)bis(oxy))pregn-4-ene-3,20-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, (16alpha)-16,17-((1-Phenylethylidene)bis(oxy))pregn-4-ene-3,20-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (16alpha)-16,17-((1-Phenylethylidene)bis(oxy))pregn-4-ene-3,20-dione has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (16alpha)-16,17-((1-Phenylethylidene)bis(oxy))pregn-4-ene-3,20-dione?
The CAS number of (16alpha)-16,17-((1-Phenylethylidene)bis(oxy))pregn-4-ene-3,20-dione is 1179-87-9.
What is the molecular formula of (16alpha)-16,17-((1-Phenylethylidene)bis(oxy))pregn-4-ene-3,20-dione?
The molecular formula of (16alpha)-16,17-((1-Phenylethylidene)bis(oxy))pregn-4-ene-3,20-dione is C29H36O4.
What is the molecular weight of (16alpha)-16,17-((1-Phenylethylidene)bis(oxy))pregn-4-ene-3,20-dione?
The molecular weight of (16alpha)-16,17-((1-Phenylethylidene)bis(oxy))pregn-4-ene-3,20-dione is 448.26135 g/mol.
Where can I buy (16alpha)-16,17-((1-Phenylethylidene)bis(oxy))pregn-4-ene-3,20-dione?
You can request a quote for (16alpha)-16,17-((1-Phenylethylidene)bis(oxy))pregn-4-ene-3,20-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (16alpha)-16,17-((1-Phenylethylidene)bis(oxy))pregn-4-ene-3,20-dione?
Yes, CoreyChem provides custom synthesis services for (16alpha)-16,17-((1-Phenylethylidene)bis(oxy))pregn-4-ene-3,20-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.