1-(17beta-Hydroxy-5alpha-androstan-3beta-yl)-1-methylpyrrolidinium iodide
TL;DR: 1-(17beta-Hydroxy-5alpha-androstan-3beta-yl)-1-methylpyrrolidinium iodide (CAS 33913-68-7) is a chemical compound with molecular formula C24H42INO and molecular weight 487.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,5S,10S,13S,17S)-10,13-dimethyl-3-(1-methylpyrrolidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-ol iodide
Also Known As: 1-(17beta-Hydroxy-5alpha-androstan-3beta-yl)-1-methylpyrrolidinium iodide, 3-(1-Methylpyrrolidin-1-ium-1-yl)androstan-17-ol iodide, Pyrrolidinium, 1-(17beta-hydroxy-5alpha-androstan-3beta-yl)-1-methyl-, iodide, (8xi,9xi,14xi)-3beta-(1-Methylpyrrolidin-1-ium-1-yl)-5alpha-androstan-17beta-ol iodide, Pyrrolidinium, 1-(17.beta.-hydroxy-5.alpha.-androstan-3.beta.-yl)-1-methyl-, iodide
| Molecular Formula | C24H42INO |
|---|---|
| Molecular Weight | 487.23 g/mol |
| LogP | 2.003 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 487.2311 |
| Heavy Atoms | 27 |
| Complexity | 554.0 |
Chemical Identifiers
| CAS Number | 33913-68-7 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C[C@@H]1CCC3C2CC[C@]4(C3CC[C@@H]4O)C)[N+]5(CCCC5)C.[I-] |
| InChIKey | XDYANORGAUIFLP-YGFOHXMGSA-M |
Product Overview
1-(17beta-Hydroxy-5alpha-androstan-3beta-yl)-1-methylpyrrolidinium iodide (CAS 33913-68-7), with molecular formula C24H42INO and molecular weight 487.23 g/mol. IUPAC: (3S,5S,10S,13S,17S)-10,13-dimethyl-3-(1-methylpyrrolidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-ol iodide.
Chemical Property Profile of 1-(17beta-Hydroxy-5alpha-androstan-3beta-yl)-1-methylpyrrolidinium iodide
Property Insights of 1-(17beta-Hydroxy-5alpha-androstan-3beta-yl)-1-methylpyrrolidinium iodide
The XLogP value of 2.003 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(17beta-Hydroxy-5alpha-androstan-3beta-yl)-1-methylpyrrolidinium iodide. With a topological polar surface area (TPSA) of 20.2 Ų, 1-(17beta-Hydroxy-5alpha-androstan-3beta-yl)-1-methylpyrrolidinium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(17beta-Hydroxy-5alpha-androstan-3beta-yl)-1-methylpyrrolidinium iodide has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(17beta-Hydroxy-5alpha-androstan-3beta-yl)-1-methylpyrrolidinium iodide?
The CAS number of 1-(17beta-Hydroxy-5alpha-androstan-3beta-yl)-1-methylpyrrolidinium iodide is 33913-68-7.
What is the molecular formula of 1-(17beta-Hydroxy-5alpha-androstan-3beta-yl)-1-methylpyrrolidinium iodide?
The molecular formula of 1-(17beta-Hydroxy-5alpha-androstan-3beta-yl)-1-methylpyrrolidinium iodide is C24H42INO.
What is the molecular weight of 1-(17beta-Hydroxy-5alpha-androstan-3beta-yl)-1-methylpyrrolidinium iodide?
The molecular weight of 1-(17beta-Hydroxy-5alpha-androstan-3beta-yl)-1-methylpyrrolidinium iodide is 487.23 g/mol.
Where can I buy 1-(17beta-Hydroxy-5alpha-androstan-3beta-yl)-1-methylpyrrolidinium iodide?
You can request a quote for 1-(17beta-Hydroxy-5alpha-androstan-3beta-yl)-1-methylpyrrolidinium iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(17beta-Hydroxy-5alpha-androstan-3beta-yl)-1-methylpyrrolidinium iodide?
Yes, KEHONG BIO provides custom synthesis services for 1-(17beta-Hydroxy-5alpha-androstan-3beta-yl)-1-methylpyrrolidinium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.