RefChem:196178
TL;DR: RefChem:196178 (CAS 105114-63-4) is a chemical compound with molecular formula C29H32O3 and molecular weight 428.23514 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(8S,11R,13S,14S,17S)-11-(4-acetylphenyl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
Also Known As: ZK 112993, ZK 112,993, (8S,11R,13S,14S,17S)-11-(4-acetylphenyl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one, Estra-4,9-dien-3-one, 11-(4-acetylphenyl)-17-hydroxy-17-(1-propynyl)-, (11beta,17beta)-, 11beta-(4-Acetylphenyl)-17beta-hydroxy-17-(1-propynyl)estra-4,9-dien-3-one
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C29H32O3 |
| Molecular Weight | 428.23514 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 428.23514 Da |
| Heavy Atoms | 32 |
| Complexity | 963.0 |
| SMILES | CC#C[C@@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)C5=CC=C(C=C5)C(=O)C)C)O |
| InChIKey | OPKMKRUFBKTTRF-GCNJZUOMSA-N |
Chemical Property Profile of RefChem:196178
Property Insights of RefChem:196178
The XLogP value of 3.3 indicates that RefChem:196178 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, RefChem:196178 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:196178 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:196178?
The CAS number of RefChem:196178 is 105114-63-4.
What is the molecular formula of RefChem:196178?
The molecular formula of RefChem:196178 is C29H32O3.
What is the molecular weight of RefChem:196178?
The molecular weight of RefChem:196178 is 428.23514 g/mol.
Where can I buy RefChem:196178?
You can request a quote for RefChem:196178 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:196178?
Yes, CoreyChem provides custom synthesis services for RefChem:196178 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.