RU 42698
TL;DR: RU 42698 (CAS 105012-15-5) is a chemical compound with molecular formula C29H35NO3 and molecular weight 445.2617 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(8S,11R,13S,14S,17R)-11-[4-(dimethylamino)phenyl]-17-hydroxy-17-(3-hydroxyprop-1-ynyl)-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
Also Known As: Hydroxy mifepristone, 22-Hydroxy Mifepristone, RU 42698, (11beta,17beta)-11-(4-(Dimethylamino)phenyl)-17-hydroxy-17-(3-hydroxy-1-propynyl)estra-4,9-dien-3-one, (8S,11R,13S,14S,17R)-11-[4-(dimethylamino)phenyl]-17-hydroxy-17-(3-hydroxyprop-1-ynyl)-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
Technical Specifications
| Molecular Formula | C29H35NO3 |
| Molecular Weight | 445.2617 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 60.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 445.2617 Da |
| Heavy Atoms | 33 |
| Complexity | 940.0 |
| SMILES | C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(C#CCO)O)C5=CC=C(C=C5)N(C)C |
| InChIKey | ULLTWLWXPJPTQG-QYQUYBGJSA-N |
Chemical Property Profile of RU 42698
Property Insights of RU 42698
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RU 42698. The TPSA of 60.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RU 42698. Following Lipinski's Rule of Five, RU 42698 has 2 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 RU 42698?
The CAS number of RU 42698 is 105012-15-5.
What is the molecular formula of RU 42698?
The molecular formula of RU 42698 is C29H35NO3.
What is the molecular weight of RU 42698?
The molecular weight of RU 42698 is 445.2617 g/mol.
Where can I buy RU 42698?
You can request a quote for RU 42698 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RU 42698?
Yes, CoreyChem provides custom synthesis services for RU 42698 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.