Dihydrochandonium
TL;DR: Dihydrochandonium (CAS 66052-67-3) is a chemical compound with molecular formula C26H48I2N2 and molecular weight 642.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aS,4bR,6aS,8S,10aS,10bS,12aS)-1,1,10a,12a-tetramethyl-8-(1-methylpyrrolidin-1-ium-1-yl)-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-2H-naphtho[2,1-f]quinolin-1-ium diiodide
Also Known As: Dihydrochandonium, Dihydrochandonium diiodide, Dihydrochandonium iodide, Dihydrochandonium dibromide, 17a-Methyl-3beta-pyrrolidino-17a-aza-D-homo-5alpha-androstane dimethiodide
| Molecular Formula | C26H48I2N2 |
|---|---|
| Molecular Weight | 642.19 g/mol |
| LogP | -0.5251 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 642.1907 |
| Heavy Atoms | 30 |
| Complexity | 606.0 |
Chemical Identifiers
| CAS Number | 66052-67-3 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC[N+]4(C)C)C)[N+]5(CCCC5)C.[I-].[I-] |
| InChIKey | ZLFADLFGBBXRJJ-SPPKVZINSA-L |
Product Overview
Dihydrochandonium (CAS 66052-67-3), with molecular formula C26H48I2N2 and molecular weight 642.19 g/mol. IUPAC: (4aS,4bR,6aS,8S,10aS,10bS,12aS)-1,1,10a,12a-tetramethyl-8-(1-methylpyrrolidin-1-ium-1-yl)-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-2H-naphtho[2,1-f]quinolin-1-ium diiodide.
Chemical Property Profile of Dihydrochandonium
Property Insights of Dihydrochandonium
The XLogP value of -0.5251 indicates that Dihydrochandonium is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 0.0 Ų, Dihydrochandonium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dihydrochandonium 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 Dihydrochandonium?
The CAS number of Dihydrochandonium is 66052-67-3.
What is the molecular formula of Dihydrochandonium?
The molecular formula of Dihydrochandonium is C26H48I2N2.
What is the molecular weight of Dihydrochandonium?
The molecular weight of Dihydrochandonium is 642.19 g/mol.
Where can I buy Dihydrochandonium?
You can request a quote for Dihydrochandonium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dihydrochandonium?
Yes, KEHONG BIO provides custom synthesis services for Dihydrochandonium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.