Org 9943
TL;DR: Org 9943 (CAS 119302-86-2) is a chemical compound with molecular formula C30H51BrN2O3 and molecular weight 566.3083 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-10,13-dimethyl-2-morpholin-4-yl-16-(1-prop-2-enylpyrrolidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol bromide
Also Known As: 17-Desacetyl Rocuronium, Org 9943, Rocuronium EP Impurity C, 17-Desacetyl Rocuronium Bromide, 17-Desacetyl-rocuronium
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C30H51BrN2O3 |
| Molecular Weight | 566.3083 g/mol |
| XLogP | 0.8407 |
| Topological Polar Surface Area (TPSA) | 52.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 566.3083 Da |
| Heavy Atoms | 36 |
| Complexity | 792.0 |
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H]([C@@H]2O)[N+]4(CCCC4)CC=C)CC[C@@H]5[C@@]3(C[C@@H]([C@H](C5)O)N6CCOCC6)C.[Br-] |
| InChIKey | KJLODZNGZVUFDC-DSBFZBMTSA-M |
Chemical Property Profile of Org 9943
Property Insights of Org 9943
The XLogP value of 0.8407 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Org 9943. With a topological polar surface area (TPSA) of 52.9 Ų, Org 9943 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Org 9943 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Org 9943?
The CAS number of Org 9943 is 119302-86-2.
What is the molecular formula of Org 9943?
The molecular formula of Org 9943 is C30H51BrN2O3.
What is the molecular weight of Org 9943?
The molecular weight of Org 9943 is 566.3083 g/mol.
Where can I buy Org 9943?
You can request a quote for Org 9943 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Org 9943?
Yes, CoreyChem provides custom synthesis services for Org 9943 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.