Org 7684
TL;DR: Org 7684 (CAS 104884-91-5) is a chemical compound with molecular formula C34H57BrN2O2 and molecular weight 604.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3S,5S,10S,13R,16S)-10,13-dimethyl-2-piperidin-1-yl-16-(1-prop-2-enylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate bromide
Also Known As: Org 7684, [(2S,3S,5S,10S,13R,16S)-10,13-Dimethyl-2-piperidin-1-yl-16-(1-prop-2-enylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate;bromide, Piperidinium, 1-((2beta,3alpha,5alpha,16beta)-3-(acetyloxy)-2-(1-piperidinyl)androstan-16-yl)-1-(2-propenyl)-, bromide, (8xi,9xi,14xi)-3alpha-(Acetyloxy)-2beta-(piperidin-1-yl)-16beta-[1-(prop-2-en-1-yl)piperidin-1-ium-1-yl]-5alpha-androstane bromide, [(2S,3S,5S,10S,13R,16S)-10,13-dimethyl-2-piperidin-1-yl-16-(1-prop-2-enylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate bromide
| Molecular Formula | C34H57BrN2O2 |
|---|---|
| Molecular Weight | 604.36 g/mol |
| LogP | 3.9845 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 604.36035 |
| Heavy Atoms | 39 |
| Complexity | 876.0 |
Chemical Identifiers
| CAS Number | 104884-91-5 |
|---|---|
| SMILES | CC(=O)O[C@H]1C[C@@H]2CCC3C([C@]2(C[C@@H]1N4CCCCC4)C)CC[C@]5(C3C[C@@H](C5)[N+]6(CCCCC6)CC=C)C.[Br-] |
| InChIKey | AEIJWTZQBCTTFW-YLWCDYKMSA-M |
Product Overview
Org 7684 (CAS 104884-91-5), with molecular formula C34H57BrN2O2 and molecular weight 604.36 g/mol. IUPAC: [(2S,3S,5S,10S,13R,16S)-10,13-dimethyl-2-piperidin-1-yl-16-(1-prop-2-enylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate bromide.
Chemical Property Profile of Org 7684
Property Insights of Org 7684
The XLogP value of 3.9845 indicates that Org 7684 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Org 7684 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Org 7684 has 0 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 Org 7684?
The CAS number of Org 7684 is 104884-91-5.
What is the molecular formula of Org 7684?
The molecular formula of Org 7684 is C34H57BrN2O2.
What is the molecular weight of Org 7684?
The molecular weight of Org 7684 is 604.36 g/mol.
Where can I buy Org 7684?
You can request a quote for Org 7684 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Org 7684?
Yes, KEHONG BIO provides custom synthesis services for Org 7684 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.