3-beta-Hydroxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane hydrochloride
TL;DR: 3-beta-Hydroxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane hydrochloride (CAS 126054-50-0) is a chemical compound with molecular formula C22H37ClN2O and molecular weight 380.25943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[(3S,5S,10S,13S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-methylamino]acetonitrile;hydrochloride
Also Known As: 3-beta-Hydroxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane hydrochloride, Acetonitrile, (((3-beta,5-alpha,17-beta)-3-hydroxyandrostan-17-yl)methylamino)-, monohydrochloride, [(3-Hydroxyandrostan-17-yl)(methyl)amino]acetonitrile--hydrogen chloride (1/1), {[(8xi,9xi,14xi)-3beta-Hydroxy-5alpha-androstan-17beta-yl](methyl)amino}acetonitrile--hydrogen chloride (1/1), 2-[[(3S,5S,10S,13S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-methylamino]acetonitrile hydrochloride
Technical Specifications
| Molecular Formula | C22H37ClN2O |
| Molecular Weight | 380.25943 g/mol |
| XLogP | 4.63578 |
| Topological Polar Surface Area (TPSA) | 47.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 380.25943 Da |
| Heavy Atoms | 26 |
| Complexity | 568.0 |
| SMILES | C[C@]12CC[C@@H](C[C@@H]1CCC3C2CC[C@]4(C3CC[C@@H]4N(C)CC#N)C)O.Cl |
| InChIKey | GOQRUJWYFNLWRO-GDKKJDFHSA-N |
Chemical Property Profile of 3-beta-Hydroxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane hydrochloride
Property Insights of 3-beta-Hydroxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane hydrochloride
The XLogP value of 4.63578 indicates that 3-beta-Hydroxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.3 Ų, 3-beta-Hydroxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-beta-Hydroxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane hydrochloride has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-beta-Hydroxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane hydrochloride?
The CAS number of 3-beta-Hydroxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane hydrochloride is 126054-50-0.
What is the molecular formula of 3-beta-Hydroxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane hydrochloride?
The molecular formula of 3-beta-Hydroxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane hydrochloride is C22H37ClN2O.
What is the molecular weight of 3-beta-Hydroxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane hydrochloride?
The molecular weight of 3-beta-Hydroxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane hydrochloride is 380.25943 g/mol.
Where can I buy 3-beta-Hydroxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane hydrochloride?
You can request a quote for 3-beta-Hydroxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-beta-Hydroxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane hydrochloride?
Yes, CoreyChem provides custom synthesis services for 3-beta-Hydroxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.