Onapristone
TL;DR: Onapristone (CAS 96346-61-1) is a chemical compound with molecular formula C29H39NO3 and molecular weight 449.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,11R,13R,14S,17S)-11-[4-(dimethylamino)phenyl]-17-hydroxy-17-(3-hydroxypropyl)-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
Also Known As: Onapristone, Onapristona, Onapristonum, Onapristone [INN], Onapristonum [Latin]
| Molecular Formula | C29H39NO3 |
|---|---|
| Molecular Weight | 449.29 g/mol |
| LogP | 5.1557 |
| Topological Polar Surface Area | 60.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 449.293 |
| Heavy Atoms | 33 |
| Complexity | 990.62427 |
Chemical Identifiers
| CAS Number | 96346-61-1 |
|---|---|
| SMILES | C[C@@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(CCCO)O)C5=CC=C(C=C5)N(C)C |
Product Overview
Onapristone (CAS 96346-61-1), with molecular formula C29H39NO3 and molecular weight 449.29 g/mol. IUPAC: (8S,11R,13R,14S,17S)-11-[4-(dimethylamino)phenyl]-17-hydroxy-17-(3-hydroxypropyl)-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of Onapristone
Property Insights of Onapristone
The XLogP value of 5.1557 indicates that Onapristone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.77 Ų falls within the moderate polarity range, balancing permeability and solubility for Onapristone. Following Lipinski's Rule of Five, Onapristone has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Onapristone?
The CAS number of Onapristone is 96346-61-1.
What is the molecular formula of Onapristone?
The molecular formula of Onapristone is C29H39NO3.
What is the molecular weight of Onapristone?
The molecular weight of Onapristone is 449.29 g/mol.
Where can I buy Onapristone?
You can request a quote for Onapristone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Onapristone?
Yes, KEHONG BIO provides custom synthesis services for Onapristone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.