RefChem:318940
TL;DR: RefChem:318940 (CAS 50588-19-7) is a chemical compound with molecular formula C31H56Br2N2O4 and molecular weight 678.2607 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-acetyloxyethyl-[(3R,5S,8R,10S,13S,17R)-3-[2-acetyloxyethyl(dimethyl)azaniumyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-dimethylazanium dibromide
Also Known As: Ammonium, (5-alpha-androstan-3-beta,17-beta-ylene)bis(dimethyl(2-hydroxyethyl)-, dibromide, diacetate, AMMONIUM, (5-alpha-ANDROSTAN-3-beta,17-beta-YLENE)BIS(DIMETHYL(2-HYDROXYETHYL)-,, (9xi,14xi)-N~3~,N~17~-Bis[2-(acetyloxy)ethyl]-N~3~,N~3~,N~17~,N~17~-tetramethyl-5alpha-androstane-3alpha,17alpha-bis(aminium) dibromide, 2-acetyloxyethyl-[(3R,5S,8R,10S,13S,17R)-3-[2-acetyloxyethyl(dimethyl)azaniumyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-dimethylazanium dibromide, 2-Acetyloxyethyl-[(3R,5S,8R,10S,13S,17R)-3-[2-acetyloxyethyl(dimethyl)azaniumyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-dimethylazaniumdibro
Technical Specifications
| Molecular Formula | C31H56Br2N2O4 |
| Molecular Weight | 678.2607 g/mol |
| XLogP | -0.95 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 680.2586 Da |
| Heavy Atoms | 39 |
| Complexity | 856.0 |
| SMILES | CC(=O)OCC[N+](C)(C)[C@@H]1CC[C@]2([C@H](C1)CC[C@@H]3C2CC[C@]4(C3CC[C@H]4[N+](C)(C)CCOC(=O)C)C)C.[Br-].[Br-] |
| InChIKey | OMPGSJGRWUKRAF-MKPSAHPLSA-L |
Chemical Property Profile of RefChem:318940
Property Insights of RefChem:318940
The XLogP value of -0.95 indicates that RefChem:318940 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.6 Ų, RefChem:318940 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:318940 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:318940?
The CAS number of RefChem:318940 is 50588-19-7.
What is the molecular formula of RefChem:318940?
The molecular formula of RefChem:318940 is C31H56Br2N2O4.
What is the molecular weight of RefChem:318940?
The molecular weight of RefChem:318940 is 678.2607 g/mol.
Where can I buy RefChem:318940?
You can request a quote for RefChem:318940 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:318940?
Yes, CoreyChem provides custom synthesis services for RefChem:318940 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.