3-beta-Chloroacetoxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane
TL;DR: 3-beta-Chloroacetoxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane (CAS 126054-43-1) is a chemical compound with molecular formula C24H37ClN2O2 and molecular weight 420.25436 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(3S,5S,10S,13S,17S)-17-[cyanomethyl(methyl)amino]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-chloroacetate
Also Known As: 3-beta-Chloroacetoxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane, Acetic acid, chloro-, (3-beta,5-alpha,17-beta)-17-((cyanomethyl)methylamino)androstan-3-yl ester, 17-[(Cyanomethyl)(methyl)amino]androstan-3-yl chloroacetate, (8xi,9xi,14xi)-17beta-[(Cyanomethyl)(methyl)amino]-5alpha-androstan-3beta-yl chloroacetate, [(3S,5S,10S,13S,17S)-17-[cyanomethyl(methyl)amino]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-chloroacetate
Technical Specifications
| Molecular Formula | C24H37ClN2O2 |
| Molecular Weight | 420.25436 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 53.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.25436 Da |
| Heavy Atoms | 29 |
| Complexity | 690.0 |
| SMILES | C[C@]12CC[C@@H](C[C@@H]1CCC3C2CC[C@]4(C3CC[C@@H]4N(C)CC#N)C)OC(=O)CCl |
| InChIKey | JOKRPORJXQCDAP-HWYRMRFUSA-N |
Chemical Property Profile of 3-beta-Chloroacetoxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane
Property Insights of 3-beta-Chloroacetoxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane
The XLogP value of 5.9 indicates that 3-beta-Chloroacetoxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.3 Ų, 3-beta-Chloroacetoxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-beta-Chloroacetoxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3-beta-Chloroacetoxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane?
The CAS number of 3-beta-Chloroacetoxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane is 126054-43-1.
What is the molecular formula of 3-beta-Chloroacetoxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane?
The molecular formula of 3-beta-Chloroacetoxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane is C24H37ClN2O2.
What is the molecular weight of 3-beta-Chloroacetoxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane?
The molecular weight of 3-beta-Chloroacetoxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane is 420.25436 g/mol.
Where can I buy 3-beta-Chloroacetoxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane?
You can request a quote for 3-beta-Chloroacetoxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-beta-Chloroacetoxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane?
Yes, CoreyChem provides custom synthesis services for 3-beta-Chloroacetoxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.