1-Methyl-1-(17-oxo-5alpha-androstan-3beta-yl)pyrrolidinium iodide
TL;DR: 1-Methyl-1-(17-oxo-5alpha-androstan-3beta-yl)pyrrolidinium iodide (CAS 33913-64-3) is a chemical compound with molecular formula C24H40INO and molecular weight 485.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,5S,10S,13S)-10,13-dimethyl-3-(1-methylpyrrolidin-1-ium-1-yl)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one iodide
Also Known As: 1-Methyl-1-(17-oxo-5alpha-androstan-3beta-yl)pyrrolidinium iodide, 3-(1-Methylpyrrolidin-1-ium-1-yl)androstan-17-one iodide, Pyrrolidinium, 1-methyl-1-(17-oxo-5alpha-androstan-3beta-yl)-, iodide, (8xi,9xi,14xi)-3beta-(1-Methylpyrrolidin-1-ium-1-yl)-5alpha-androstan-17-one iodide, Pyrrolidinium, 1-methyl-1-(17-oxo-5.alpha.-androstan-3.beta.-yl)-, iodide
| Molecular Formula | C24H40INO |
|---|---|
| Molecular Weight | 485.22 g/mol |
| LogP | 2.2112 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 485.21545 |
| Heavy Atoms | 27 |
| Complexity | 593.0 |
Chemical Identifiers
| CAS Number | 33913-64-3 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C[C@@H]1CCC3C2CC[C@]4(C3CCC4=O)C)[N+]5(CCCC5)C.[I-] |
| InChIKey | WOTHVHUNAMOQIK-UPAPCIALSA-M |
Product Overview
1-Methyl-1-(17-oxo-5alpha-androstan-3beta-yl)pyrrolidinium iodide (CAS 33913-64-3), with molecular formula C24H40INO and molecular weight 485.22 g/mol. IUPAC: (3S,5S,10S,13S)-10,13-dimethyl-3-(1-methylpyrrolidin-1-ium-1-yl)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one iodide.
Chemical Property Profile of 1-Methyl-1-(17-oxo-5alpha-androstan-3beta-yl)pyrrolidinium iodide
Property Insights of 1-Methyl-1-(17-oxo-5alpha-androstan-3beta-yl)pyrrolidinium iodide
The XLogP value of 2.2112 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-1-(17-oxo-5alpha-androstan-3beta-yl)pyrrolidinium iodide. With a topological polar surface area (TPSA) of 17.1 Ų, 1-Methyl-1-(17-oxo-5alpha-androstan-3beta-yl)pyrrolidinium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-1-(17-oxo-5alpha-androstan-3beta-yl)pyrrolidinium iodide has 0 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-Methyl-1-(17-oxo-5alpha-androstan-3beta-yl)pyrrolidinium iodide?
The CAS number of 1-Methyl-1-(17-oxo-5alpha-androstan-3beta-yl)pyrrolidinium iodide is 33913-64-3.
What is the molecular formula of 1-Methyl-1-(17-oxo-5alpha-androstan-3beta-yl)pyrrolidinium iodide?
The molecular formula of 1-Methyl-1-(17-oxo-5alpha-androstan-3beta-yl)pyrrolidinium iodide is C24H40INO.
What is the molecular weight of 1-Methyl-1-(17-oxo-5alpha-androstan-3beta-yl)pyrrolidinium iodide?
The molecular weight of 1-Methyl-1-(17-oxo-5alpha-androstan-3beta-yl)pyrrolidinium iodide is 485.22 g/mol.
Where can I buy 1-Methyl-1-(17-oxo-5alpha-androstan-3beta-yl)pyrrolidinium iodide?
You can request a quote for 1-Methyl-1-(17-oxo-5alpha-androstan-3beta-yl)pyrrolidinium iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-1-(17-oxo-5alpha-androstan-3beta-yl)pyrrolidinium iodide?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-1-(17-oxo-5alpha-androstan-3beta-yl)pyrrolidinium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.