Dipyrandium
TL;DR: Dipyrandium (CAS 13962-54-4) 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-[(5S,10S,13S)-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, KST-1A1323, 3alpha,17alpha-Dipyrrolidin-1'-yl-5alpha-androstane bismethiodide, 3beta,17alpha-Dipyrrolidin-1'-yl-5alpha-androstane bismethiodide, (5
| 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 | 13962-54-4 |
|---|---|
| SMILES | C[C@]12CCC(C[C@@H]1CCC3C2CC[C@]4(C3CCC4[N+]5(CCCC5)C)C)[N+]6(CCCC6)C.[I-].[I-] |
| InChIKey | MFQJSNKMXLSFCD-LFJXGYEGSA-L |
Product Overview
Dipyrandium (CAS 13962-54-4), with molecular formula C29H52I2N2 and molecular weight 682.22 g/mol. IUPAC: 1-[(5S,10S,13S)-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 Dipyrandium
Property Insights of Dipyrandium
The XLogP value of 0.2551 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dipyrandium. With a topological polar surface area (TPSA) of 0.0 Ų, Dipyrandium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dipyrandium 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 Dipyrandium?
The CAS number of Dipyrandium is 13962-54-4.
What is the molecular formula of Dipyrandium?
The molecular formula of Dipyrandium is C29H52I2N2.
What is the molecular weight of Dipyrandium?
The molecular weight of Dipyrandium is 682.22 g/mol.
Where can I buy Dipyrandium?
You can request a quote for Dipyrandium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dipyrandium?
Yes, KEHONG BIO provides custom synthesis services for Dipyrandium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.