3alpha,17alpha-Bisdiethylamino-5alpha-androstane di(methiodide)
TL;DR: 3alpha,17alpha-Bisdiethylamino-5alpha-androstane di(methiodide) (CAS 66-50-2) is a chemical compound with molecular formula C29H56I2N2 and molecular weight 686.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3R,8R,10S,13S,17R)-3-[diethyl(methyl)azaniumyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-diethyl-methylazanium diiodide
Also Known As: KST-1A7494, 3alpha,17alpha-Bisdiethylamino-5alpha-androstane di(methiodide), 3-alpha,17-alpha-Bisdiethylamino-5-alpha-androstane di(methiodide), AMMONIUM, (5-alpha-ANDROSTAN-3-alpha,17-alpha-YLENE)BIS(DIETHYLMETHYL-, DIIODIDE, (5-alpha-Androstane-3-alpha,17-alpha-diyl)bis(diethylmethylammonium iodide)
| Molecular Formula | C29H56I2N2 |
|---|---|
| Molecular Weight | 686.25 g/mol |
| LogP | 0.75 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 686.2533 |
| Heavy Atoms | 33 |
| Complexity | 635.0 |
Chemical Identifiers
| CAS Number | 66-50-2 |
|---|---|
| SMILES | CC[N+](C)(CC)[C@@H]1CC[C@]2(C(C1)CC[C@@H]3C2CC[C@]4(C3CC[C@H]4[N+](C)(CC)CC)C)C.[I-].[I-] |
| InChIKey | HQYJGSBDTMCORH-UVLJULLJSA-L |
Product Overview
3alpha,17alpha-Bisdiethylamino-5alpha-androstane di(methiodide) (CAS 66-50-2), with molecular formula C29H56I2N2 and molecular weight 686.25 g/mol. IUPAC: [(3R,8R,10S,13S,17R)-3-[diethyl(methyl)azaniumyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-diethyl-methylazanium diiodide.
Chemical Property Profile of 3alpha,17alpha-Bisdiethylamino-5alpha-androstane di(methiodide)
Property Insights of 3alpha,17alpha-Bisdiethylamino-5alpha-androstane di(methiodide)
The XLogP value of 0.75 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3alpha,17alpha-Bisdiethylamino-5alpha-androstane di(methiodide). With a topological polar surface area (TPSA) of 0.0 Ų, 3alpha,17alpha-Bisdiethylamino-5alpha-androstane di(methiodide) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3alpha,17alpha-Bisdiethylamino-5alpha-androstane di(methiodide) 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 3alpha,17alpha-Bisdiethylamino-5alpha-androstane di(methiodide)?
The CAS number of 3alpha,17alpha-Bisdiethylamino-5alpha-androstane di(methiodide) is 66-50-2.
What is the molecular formula of 3alpha,17alpha-Bisdiethylamino-5alpha-androstane di(methiodide)?
The molecular formula of 3alpha,17alpha-Bisdiethylamino-5alpha-androstane di(methiodide) is C29H56I2N2.
What is the molecular weight of 3alpha,17alpha-Bisdiethylamino-5alpha-androstane di(methiodide)?
The molecular weight of 3alpha,17alpha-Bisdiethylamino-5alpha-androstane di(methiodide) is 686.25 g/mol.
Where can I buy 3alpha,17alpha-Bisdiethylamino-5alpha-androstane di(methiodide)?
You can request a quote for 3alpha,17alpha-Bisdiethylamino-5alpha-androstane di(methiodide) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3alpha,17alpha-Bisdiethylamino-5alpha-androstane di(methiodide)?
Yes, KEHONG BIO provides custom synthesis services for 3alpha,17alpha-Bisdiethylamino-5alpha-androstane di(methiodide) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.