3,17-Dipyrrolidin-1'-yl-5-delta(9,11)-androstene dimethiodide
TL;DR: 3,17-Dipyrrolidin-1'-yl-5-delta(9,11)-androstene dimethiodide (CAS 79868-89-6) is a chemical compound with molecular formula C29H50I2N2 and molecular weight 680.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3R,5R,8S,10S,13S,14S,17S)-10,13-dimethyl-3-(1-methylpyrrolidin-1-ium-1-yl)-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1-methylpyrrolidin-1-ium diiodide
Also Known As: 3,5,17-Dipyrandenium, 3alpha,5beta,17beta-Dipyrandenium, 3 alpha,5 beta,17 beta-dipyrandenium, 3,17-Dipyrrolidin-1'-yl-5-delta(9,11)-androstene dimethiodide, 3alpha,17beta-Dipyrrolidin-1'-yl-5beta-delta(9,11)-androstene dimethiodide
| Molecular Formula | C29H50I2N2 |
|---|---|
| Molecular Weight | 680.21 g/mol |
| LogP | 0.1752 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 680.20636 |
| Heavy Atoms | 33 |
| Complexity | 742.0 |
Chemical Identifiers
| CAS Number | 79868-89-6 |
|---|---|
| SMILES | C[C@]12CC[C@H](C[C@H]1CC[C@@H]3C2=CC[C@]4([C@H]3CC[C@@H]4[N+]5(CCCC5)C)C)[N+]6(CCCC6)C.[I-].[I-] |
| InChIKey | HNWZERWXVHYEQG-PTQRBVSASA-L |
Product Overview
3,17-Dipyrrolidin-1'-yl-5-delta(9,11)-androstene dimethiodide (CAS 79868-89-6), with molecular formula C29H50I2N2 and molecular weight 680.21 g/mol. IUPAC: 1-[(3R,5R,8S,10S,13S,14S,17S)-10,13-dimethyl-3-(1-methylpyrrolidin-1-ium-1-yl)-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1-methylpyrrolidin-1-ium diiodide.
Chemical Property Profile of 3,17-Dipyrrolidin-1'-yl-5-delta(9,11)-androstene dimethiodide
Property Insights of 3,17-Dipyrrolidin-1'-yl-5-delta(9,11)-androstene dimethiodide
The XLogP value of 0.1752 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,17-Dipyrrolidin-1'-yl-5-delta(9,11)-androstene dimethiodide. With a topological polar surface area (TPSA) of 0.0 Ų, 3,17-Dipyrrolidin-1'-yl-5-delta(9,11)-androstene dimethiodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,17-Dipyrrolidin-1'-yl-5-delta(9,11)-androstene dimethiodide has 0 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 3,17-Dipyrrolidin-1'-yl-5-delta(9,11)-androstene dimethiodide?
The CAS number of 3,17-Dipyrrolidin-1'-yl-5-delta(9,11)-androstene dimethiodide is 79868-89-6.
What is the molecular formula of 3,17-Dipyrrolidin-1'-yl-5-delta(9,11)-androstene dimethiodide?
The molecular formula of 3,17-Dipyrrolidin-1'-yl-5-delta(9,11)-androstene dimethiodide is C29H50I2N2.
What is the molecular weight of 3,17-Dipyrrolidin-1'-yl-5-delta(9,11)-androstene dimethiodide?
The molecular weight of 3,17-Dipyrrolidin-1'-yl-5-delta(9,11)-androstene dimethiodide is 680.21 g/mol.
Where can I buy 3,17-Dipyrrolidin-1'-yl-5-delta(9,11)-androstene dimethiodide?
You can request a quote for 3,17-Dipyrrolidin-1'-yl-5-delta(9,11)-androstene dimethiodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,17-Dipyrrolidin-1'-yl-5-delta(9,11)-androstene dimethiodide?
Yes, KEHONG BIO provides custom synthesis services for 3,17-Dipyrrolidin-1'-yl-5-delta(9,11)-androstene dimethiodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.