Org 7678
TL;DR: Org 7678 (CAS 104855-17-6) is a chemical compound with molecular formula C32H55BrN2O and molecular weight 562.35 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-ol bromide
Also Known As: Org 7678, (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-ol bromide, Piperidinium, 1-((2beta,3alpha,5alpha,16beta)-3-hydroxy-2-(1-piperidinyl)androstan-16-yl)-1-(2-propenyl)-, bromide, 2-(Piperidin-1-yl)-16-[1-(prop-2-en-1-yl)piperidin-1-ium-1-yl]androstan-3-ol 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-ol;bromide
| Molecular Formula | C32H55BrN2O |
|---|---|
| Molecular Weight | 562.35 g/mol |
| LogP | 3.4137 |
| Topological Polar Surface Area | 23.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 562.3498 |
| Heavy Atoms | 36 |
| Complexity | 770.0 |
Chemical Identifiers
| CAS Number | 104855-17-6 |
|---|---|
| SMILES | C[C@]12CCC3C(C1C[C@@H](C2)[N+]4(CCCCC4)CC=C)CC[C@@H]5[C@@]3(C[C@@H]([C@H](C5)O)N6CCCCC6)C.[Br-] |
| InChIKey | NRDDMHOUXLIEJZ-JCMXEUMWSA-M |
Product Overview
Org 7678 (CAS 104855-17-6), with molecular formula C32H55BrN2O and molecular weight 562.35 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-ol bromide.
Chemical Property Profile of Org 7678
Property Insights of Org 7678
The XLogP value of 3.4137 indicates that Org 7678 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.5 Ų, Org 7678 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Org 7678 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Org 7678?
The CAS number of Org 7678 is 104855-17-6.
What is the molecular formula of Org 7678?
The molecular formula of Org 7678 is C32H55BrN2O.
What is the molecular weight of Org 7678?
The molecular weight of Org 7678 is 562.35 g/mol.
Where can I buy Org 7678?
You can request a quote for Org 7678 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Org 7678?
Yes, KEHONG BIO provides custom synthesis services for Org 7678 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.