RefChem:373465
TL;DR: RefChem:373465 (CAS 50587-96-7) is a chemical compound with molecular formula C36H59BrN2O4 and molecular weight 662.37 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)-17-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-3-yl] acetate bromide
Also Known As: Piperidinium, 1-allyl-1-(3-alpha,17-beta-diacetoxy-2-beta-piperidino-5-alpha-androstan-16-beta-yl)-, bromide, (8xi,9xi,14xi)-3alpha,17beta-Bis(acetyloxy)-2beta-(piperidin-1-yl)-16beta-[1-(prop-2-en-1-yl)piperidin-1-ium-1-yl]-5alpha-androstane bromide, [(2S,3S,5S,10S,13S,16S,17R)-17-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-3-yl] acetate bromide, 3,17-Bis(acetyloxy)-2-(piperidin-1-yl)-16-[1-(prop-2-en-1-yl)piperidin-1-ium-1-yl]androstane bromide, Piperidinium, 1-[(2.beta.,3.alpha.,5.alpha.,16.beta.,17.beta.)-3,17-bis(acetyloxy)-2-(1-piperidinyl)androstan-16-yl]-1-(2-propenyl)-, bromide
| Molecular Formula | C36H59BrN2O4 |
|---|---|
| Molecular Weight | 662.37 g/mol |
| LogP | 3.5261 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 662.36584 |
| Heavy Atoms | 43 |
| Complexity | 1024.7206 |
Chemical Identifiers
| CAS Number | 50587-96-7 |
|---|---|
| SMILES | CC(=O)O[C@H]1C[C@@H]2CCC3C([C@]2(C[C@@H]1N4CCCCC4)C)CC[C@]5(C3C[C@@H]([C@@H]5OC(=O)C)[N+]6(CCCCC6)CC=C)C.[Br-] |
Product Overview
RefChem:373465 (CAS 50587-96-7), with molecular formula C36H59BrN2O4 and molecular weight 662.37 g/mol. IUPAC: [(2S,3S,5S,10S,13S,16S,17R)-17-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-3-yl] acetate bromide.
Chemical Property Profile of RefChem:373465
Property Insights of RefChem:373465
The XLogP value of 3.5261 indicates that RefChem:373465 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.84 Ų, RefChem:373465 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:373465 has 0 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 RefChem:373465?
The CAS number of RefChem:373465 is 50587-96-7.
What is the molecular formula of RefChem:373465?
The molecular formula of RefChem:373465 is C36H59BrN2O4.
What is the molecular weight of RefChem:373465?
The molecular weight of RefChem:373465 is 662.37 g/mol.
Where can I buy RefChem:373465?
You can request a quote for RefChem:373465 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:373465?
Yes, KEHONG BIO provides custom synthesis services for RefChem:373465 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.