5alpha-Androstan-3alpha,17beta-diol, 2beta,16beta-bis(1-prop-2-ynylpiperidinio)-, dibromide
TL;DR: 5alpha-Androstan-3alpha,17beta-diol, 2beta,16beta-bis(1-prop-2-ynylpiperidinio)-, dibromide (CAS 50587-91-2) is a chemical compound with molecular formula C35H56Br2N2O2 and molecular weight 694.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,5S,10S,13S,17R)-10,13-dimethyl-2,16-bis(1-prop-2-ynylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol dibromide
Also Known As: 5alpha-Androstan-3alpha,17beta-diol, 2beta,16beta-bis(1-prop-2-ynylpiperidinio)-, dibromide, 2-beta,16-beta-Dipiperidino-5-alpha-androstan-3-alpha,16-beta-diol diprop-2-ynylbromide, Piperidinium, 1,1'-(2-beta,16-beta-(3-alpha,17-beta-dihydroxy-5-alpha-androstanylene))bis(1-(2-propynyl)-, dibromide, 2,16-Bis[1-(prop-2-yn-1-yl)piperidin-1-ium-1-yl]androstane-3,17-diol dibromide, (3S,5S,10S,13S,17R)-10,13-dimethyl-2,16-bis(1-prop-2-ynylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol dibromide
| Molecular Formula | C35H56Br2N2O2 |
|---|---|
| Molecular Weight | 694.27 g/mol |
| LogP | -1.0163 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 694.2709 |
| Heavy Atoms | 41 |
| Complexity | 995.11255 |
Chemical Identifiers
| CAS Number | 50587-91-2 |
|---|---|
| SMILES | C[C@]12CCC3C(C1CC([C@@H]2O)[N+]4(CCCCC4)CC#C)CC[C@@H]5[C@@]3(CC([C@H](C5)O)[N+]6(CCCCC6)CC#C)C.[Br-].[Br-] |
Product Overview
5alpha-Androstan-3alpha,17beta-diol, 2beta,16beta-bis(1-prop-2-ynylpiperidinio)-, dibromide (CAS 50587-91-2), with molecular formula C35H56Br2N2O2 and molecular weight 694.27 g/mol. IUPAC: (3S,5S,10S,13S,17R)-10,13-dimethyl-2,16-bis(1-prop-2-ynylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol dibromide.
Chemical Property Profile of 5alpha-Androstan-3alpha,17beta-diol, 2beta,16beta-bis(1-prop-2-ynylpiperidinio)-, dibromide
Property Insights of 5alpha-Androstan-3alpha,17beta-diol, 2beta,16beta-bis(1-prop-2-ynylpiperidinio)-, dibromide
The XLogP value of -1.0163 indicates that 5alpha-Androstan-3alpha,17beta-diol, 2beta,16beta-bis(1-prop-2-ynylpiperidinio)-, dibromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.46 Ų, 5alpha-Androstan-3alpha,17beta-diol, 2beta,16beta-bis(1-prop-2-ynylpiperidinio)-, dibromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5alpha-Androstan-3alpha,17beta-diol, 2beta,16beta-bis(1-prop-2-ynylpiperidinio)-, dibromide has 2 hydrogen bond donor(s) and 2 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-bis(1-prop-2-ynylpiperidinio)-, dibromide?
The CAS number of 5alpha-Androstan-3alpha,17beta-diol, 2beta,16beta-bis(1-prop-2-ynylpiperidinio)-, dibromide is 50587-91-2.
What is the molecular formula of 5alpha-Androstan-3alpha,17beta-diol, 2beta,16beta-bis(1-prop-2-ynylpiperidinio)-, dibromide?
The molecular formula of 5alpha-Androstan-3alpha,17beta-diol, 2beta,16beta-bis(1-prop-2-ynylpiperidinio)-, dibromide is C35H56Br2N2O2.
What is the molecular weight of 5alpha-Androstan-3alpha,17beta-diol, 2beta,16beta-bis(1-prop-2-ynylpiperidinio)-, dibromide?
The molecular weight of 5alpha-Androstan-3alpha,17beta-diol, 2beta,16beta-bis(1-prop-2-ynylpiperidinio)-, dibromide is 694.27 g/mol.
Where can I buy 5alpha-Androstan-3alpha,17beta-diol, 2beta,16beta-bis(1-prop-2-ynylpiperidinio)-, dibromide?
You can request a quote for 5alpha-Androstan-3alpha,17beta-diol, 2beta,16beta-bis(1-prop-2-ynylpiperidinio)-, dibromide 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-bis(1-prop-2-ynylpiperidinio)-, dibromide?
Yes, KEHONG BIO provides custom synthesis services for 5alpha-Androstan-3alpha,17beta-diol, 2beta,16beta-bis(1-prop-2-ynylpiperidinio)-, dibromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.