Org 9943
TL;DR: Org 9943 (CAS 119302-86-2) is a chemical compound with molecular formula C30H51BrN2O3 and molecular weight 566.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(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
| Molecular Formula | C30H51BrN2O3 |
|---|---|
| Molecular Weight | 566.31 g/mol |
| LogP | 0.8407 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 566.3083 |
| Heavy Atoms | 36 |
| Complexity | 792.0 |
Chemical Identifiers
| CAS Number | 119302-86-2 |
|---|---|
| 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 |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Org 9943 (CAS 119302-86-2), with molecular formula C30H51BrN2O3 and molecular weight 566.31 g/mol. IUPAC: (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.
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
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 566.31 g/mol.
Where can I buy Org 9943?
You can request a quote for Org 9943 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Org 9943?
Yes, KEHONG BIO provides custom synthesis services for Org 9943 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.