5alpha-Androstan-3alpha,17beta-diol, 2beta,16beta-dipipecolinio-, dibromide, dipropionate
TL;DR: 5alpha-Androstan-3alpha,17beta-diol, 2beta,16beta-dipipecolinio-, dibromide, dipropionate (CAS 50587-98-9) is a chemical compound with molecular formula C37H64Br2N2O4 and molecular weight 758.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,5S,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl)-17-propanoyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] propanoate dibromide
Also Known As: 5alpha-Androstan-3alpha,17beta-diol, 2beta,16beta-dipipecolinio-, dibromide, dipropionate, 3-alpha,17-beta-Dipropionyloxy-2-beta,16-beta-dipiperidino-5-alpha-androstane dimethobromide, Piperidinium, 1,1'-(2-beta,16-beta-(3-alpha-17-beta-dihydroxy-5-alpha-androstanylene))bis(1-methyl-, dibromide, dipropionate, 2,16-Bis(1-methylpiperidin-1-ium-1-yl)-3,17-bis(propanoyloxy)androstane dibromide, 2,16-Bis(1-methylpiperidin-1-ium-1-yl)-3alpha,17beta-bis(propanoyloxy)-5alpha-androstane dibromide
| Molecular Formula | C37H64Br2N2O4 |
|---|---|
| Molecular Weight | 758.32 g/mol |
| LogP | 0.8987 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 758.3233 |
| Heavy Atoms | 45 |
| Complexity | 1045.4393 |
Chemical Identifiers
| CAS Number | 50587-98-9 |
|---|---|
| SMILES | CCC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(CC1[N+]4(CCCCC4)C)C)CC[C@]5([C@H]3CC([C@@H]5OC(=O)CC)[N+]6(CCCCC6)C)C.[Br-].[Br-] |
Product Overview
5alpha-Androstan-3alpha,17beta-diol, 2beta,16beta-dipipecolinio-, dibromide, dipropionate (CAS 50587-98-9), with molecular formula C37H64Br2N2O4 and molecular weight 758.32 g/mol. IUPAC: [(3S,5S,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl)-17-propanoyloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] propanoate dibromide.
Chemical Property Profile of 5alpha-Androstan-3alpha,17beta-diol, 2beta,16beta-dipipecolinio-, dibromide, dipropionate
Property Insights of 5alpha-Androstan-3alpha,17beta-diol, 2beta,16beta-dipipecolinio-, dibromide, dipropionate
The XLogP value of 0.8987 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5alpha-Androstan-3alpha,17beta-diol, 2beta,16beta-dipipecolinio-, dibromide, dipropionate. With a topological polar surface area (TPSA) of 52.6 Ų, 5alpha-Androstan-3alpha,17beta-diol, 2beta,16beta-dipipecolinio-, dibromide, dipropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5alpha-Androstan-3alpha,17beta-diol, 2beta,16beta-dipipecolinio-, dibromide, dipropionate 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 5alpha-Androstan-3alpha,17beta-diol, 2beta,16beta-dipipecolinio-, dibromide, dipropionate?
The CAS number of 5alpha-Androstan-3alpha,17beta-diol, 2beta,16beta-dipipecolinio-, dibromide, dipropionate is 50587-98-9.
What is the molecular formula of 5alpha-Androstan-3alpha,17beta-diol, 2beta,16beta-dipipecolinio-, dibromide, dipropionate?
The molecular formula of 5alpha-Androstan-3alpha,17beta-diol, 2beta,16beta-dipipecolinio-, dibromide, dipropionate is C37H64Br2N2O4.
What is the molecular weight of 5alpha-Androstan-3alpha,17beta-diol, 2beta,16beta-dipipecolinio-, dibromide, dipropionate?
The molecular weight of 5alpha-Androstan-3alpha,17beta-diol, 2beta,16beta-dipipecolinio-, dibromide, dipropionate is 758.32 g/mol.
Where can I buy 5alpha-Androstan-3alpha,17beta-diol, 2beta,16beta-dipipecolinio-, dibromide, dipropionate?
You can request a quote for 5alpha-Androstan-3alpha,17beta-diol, 2beta,16beta-dipipecolinio-, dibromide, dipropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5alpha-Androstan-3alpha,17beta-diol, 2beta,16beta-dipipecolinio-, dibromide, dipropionate?
Yes, KEHONG BIO provides custom synthesis services for 5alpha-Androstan-3alpha,17beta-diol, 2beta,16beta-dipipecolinio-, dibromide, dipropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.