3-beta-Trimethylaminoacetyloxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane HCl
TL;DR: 3-beta-Trimethylaminoacetyloxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane HCl (CAS 126054-44-2) is a chemical compound with molecular formula C27H46ClN3O2 and molecular weight 479.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[[(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]oxy]-2-oxoethyl]-trimethylazanium chloride
Also Known As: 3-beta-Trimethylaminoacetyloxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane HCl, Ethanaminium, 2-(((3-beta,5-alpha,17-beta)-17-((cyanomethyl)methylamino)androstan-3-yl)oxy)-N,N,N-trimethyl-2-oxo-, chloride, [2-[[(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]oxy]-2-oxoethyl]-trimethylazanium;chloride, Ethanaminium, 2-(((3-beta,5-alpha,17-beta)-17-((cyanomethyl)methylamin o)androstan-3-yl)oxy)-N,N,N-t, [2-[[(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]oxy]-2-oxoethyl]-trimethylazanium chloride
| Molecular Formula | C27H46ClN3O2 |
|---|---|
| Molecular Weight | 479.33 g/mol |
| LogP | 1.47508 |
| Topological Polar Surface Area | 53.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 479.32785 |
| Heavy Atoms | 33 |
| Complexity | 761.44586 |
Chemical Identifiers
| CAS Number | 126054-44-2 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C[C@@H]1CCC3C2CC[C@]4(C3CC[C@@H]4N(C)CC#N)C)OC(=O)C[N+](C)(C)C.[Cl-] |
Product Overview
3-beta-Trimethylaminoacetyloxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane HCl (CAS 126054-44-2), with molecular formula C27H46ClN3O2 and molecular weight 479.33 g/mol. IUPAC: [2-[[(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]oxy]-2-oxoethyl]-trimethylazanium chloride.
Chemical Property Profile of 3-beta-Trimethylaminoacetyloxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane HCl
Property Insights of 3-beta-Trimethylaminoacetyloxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane HCl
The XLogP value of 1.47508 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-beta-Trimethylaminoacetyloxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane HCl. With a topological polar surface area (TPSA) of 53.33 Ų, 3-beta-Trimethylaminoacetyloxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane HCl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-beta-Trimethylaminoacetyloxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane HCl has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-beta-Trimethylaminoacetyloxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane HCl?
The CAS number of 3-beta-Trimethylaminoacetyloxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane HCl is 126054-44-2.
What is the molecular formula of 3-beta-Trimethylaminoacetyloxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane HCl?
The molecular formula of 3-beta-Trimethylaminoacetyloxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane HCl is C27H46ClN3O2.
What is the molecular weight of 3-beta-Trimethylaminoacetyloxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane HCl?
The molecular weight of 3-beta-Trimethylaminoacetyloxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane HCl is 479.33 g/mol.
Where can I buy 3-beta-Trimethylaminoacetyloxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane HCl?
You can request a quote for 3-beta-Trimethylaminoacetyloxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane HCl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-beta-Trimethylaminoacetyloxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane HCl?
Yes, KEHONG BIO provides custom synthesis services for 3-beta-Trimethylaminoacetyloxy-17-beta-(N-methyl-N-cyanomethylamino)-5-alpha-androstane HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.