3beta,17beta-Di-(1-pyrrolidinyl)-5alpha-androstane
TL;DR: 3beta,17beta-Di-(1-pyrrolidinyl)-5alpha-androstane (CAS 3418-21-1) is a chemical compound with molecular formula C29H52I2N2 and molecular weight 682.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3S,5S,8R,9S,10S,13S,14S,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-yl]-1-methylpyrrolidin-1-ium diiodide
Also Known As: Dipyrandium, dipyrandium iodide, KST-1A3980, KST-1A3981, 3beta,17beta-Di-(1-pyrrolidinyl)-5alpha-androstane
| Molecular Formula | C29H52I2N2 |
|---|---|
| Molecular Weight | 682.22 g/mol |
| LogP | 0.2551 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 682.222 |
| Heavy Atoms | 33 |
| Complexity | 689.0 |
Chemical Identifiers
| CAS Number | 3418-21-1 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4[N+]5(CCCC5)C)C)[N+]6(CCCC6)C.[I-].[I-] |
| InChIKey | MFQJSNKMXLSFCD-UADHMQRGSA-L |
Product Overview
3beta,17beta-Di-(1-pyrrolidinyl)-5alpha-androstane (CAS 3418-21-1), with molecular formula C29H52I2N2 and molecular weight 682.22 g/mol. IUPAC: 1-[(3S,5S,8R,9S,10S,13S,14S,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-yl]-1-methylpyrrolidin-1-ium diiodide.
Chemical Property Profile of 3beta,17beta-Di-(1-pyrrolidinyl)-5alpha-androstane
Property Insights of 3beta,17beta-Di-(1-pyrrolidinyl)-5alpha-androstane
The XLogP value of 0.2551 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3beta,17beta-Di-(1-pyrrolidinyl)-5alpha-androstane. With a topological polar surface area (TPSA) of 0.0 Ų, 3beta,17beta-Di-(1-pyrrolidinyl)-5alpha-androstane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3beta,17beta-Di-(1-pyrrolidinyl)-5alpha-androstane 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 3beta,17beta-Di-(1-pyrrolidinyl)-5alpha-androstane?
The CAS number of 3beta,17beta-Di-(1-pyrrolidinyl)-5alpha-androstane is 3418-21-1.
What is the molecular formula of 3beta,17beta-Di-(1-pyrrolidinyl)-5alpha-androstane?
The molecular formula of 3beta,17beta-Di-(1-pyrrolidinyl)-5alpha-androstane is C29H52I2N2.
What is the molecular weight of 3beta,17beta-Di-(1-pyrrolidinyl)-5alpha-androstane?
The molecular weight of 3beta,17beta-Di-(1-pyrrolidinyl)-5alpha-androstane is 682.22 g/mol.
Where can I buy 3beta,17beta-Di-(1-pyrrolidinyl)-5alpha-androstane?
You can request a quote for 3beta,17beta-Di-(1-pyrrolidinyl)-5alpha-androstane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3beta,17beta-Di-(1-pyrrolidinyl)-5alpha-androstane?
Yes, KEHONG BIO provides custom synthesis services for 3beta,17beta-Di-(1-pyrrolidinyl)-5alpha-androstane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.