Org 7617
TL;DR: Org 7617 (CAS 120592-89-4) is a chemical compound with molecular formula C38H63BrN2O4 and molecular weight 690.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3S,5S,10S,13S,16S,17R)-3-acetyloxy-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-17-yl] butanoate bromide
Also Known As: Org 7617, Piperidinium, 1-((2beta,3alpha,5alpha,16beta,17beta)-3-(acetyloxy)-17-(1-oxobutoxy)-2-(1-piperidinyl)androstan-16-yl)-1-(2-propenyl)-, bromide, 1-(3-Acetyloxy-17-(1-oxobutoxy)-2-(1-piperdinyl)androstan-16-yl)-1-(2-propenyl)piperidine, [(2S,3S,5S,10S,13S,16S,17R)-3-acetyloxy-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-17-yl] butanoate;bromide, (8xi,9xi,14xi)-3alpha-(Acetyloxy)-17beta-(butanoyloxy)-2beta-(piperidin-1-yl)-16beta-[1-(prop-2-en-1-yl)piperidin-1-ium-1-yl]-5alpha-androstane bromide
| Molecular Formula | C38H63BrN2O4 |
|---|---|
| Molecular Weight | 690.40 g/mol |
| LogP | 4.3063 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 690.3971 |
| Heavy Atoms | 45 |
| Complexity | 1050.0 |
Chemical Identifiers
| CAS Number | 120592-89-4 |
|---|---|
| SMILES | CCCC(=O)O[C@H]1[C@H](CC2[C@@]1(CCC3C2CC[C@@H]4[C@@]3(C[C@@H]([C@H](C4)OC(=O)C)N5CCCCC5)C)C)[N+]6(CCCCC6)CC=C.[Br-] |
| InChIKey | ZJTBGJDGVYKEHQ-NKRSKPSUSA-M |
Product Overview
Org 7617 (CAS 120592-89-4), with molecular formula C38H63BrN2O4 and molecular weight 690.40 g/mol. IUPAC: [(2S,3S,5S,10S,13S,16S,17R)-3-acetyloxy-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-17-yl] butanoate bromide.
Chemical Property Profile of Org 7617
Property Insights of Org 7617
The XLogP value of 4.3063 indicates that Org 7617 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, Org 7617 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Org 7617 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Org 7617?
The CAS number of Org 7617 is 120592-89-4.
What is the molecular formula of Org 7617?
The molecular formula of Org 7617 is C38H63BrN2O4.
What is the molecular weight of Org 7617?
The molecular weight of Org 7617 is 690.40 g/mol.
Where can I buy Org 7617?
You can request a quote for Org 7617 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Org 7617?
Yes, KEHONG BIO provides custom synthesis services for Org 7617 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.