ALFAXALONE

Base Information Edit

Chemical Name:ALFAXALONE
CAS No.:23930-19-0
Molecular Formula:C21H32O3
Molecular Weight:332.483
Hs Code.:
European Community (EC) Number:636-625-6
UNII:BD07M97B2A
DSSTox Substance ID:DTXSID9022576
Nikkaji Number:J3.157G
Wikipedia:Alfaxalone
Wikidata:Q3611058
NCI Thesaurus Code:C72161
Metabolomics Workbench ID:68076
ChEMBL ID:CHEMBL190279
Mol file:23930-19-0.mol

Synonyms:5a-Pregnane-11,20-dione, 3a-hydroxy- (8CI);3a-Hydroxy-5a-pregnane-11,20-dione;5a-Alphaxalone;5a-Pregnan-3a-ol-11,20-dione;5a-Pregnane-3a-ol-11,20-dione;Alfaxalone;Alphaxalone;GR 2/234;Pregnane-11,20-dione, 3-hydroxy-, (3α,5α)-;(3a,5a)-3-Hydroxypregnane-11,20-dione;(3α,5α)-3-Hydroxypregnane-11,20-dione;Pregnane-11,20-dione, 3-hydroxy-, (3α,5α)-;(3α,5α)-3-hydroxypregnane-11,20-dione;

Suppliers and Price of ALFAXALONE

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Usbiological
Alphaxalone
10mg
$ 389.00

TRC
Alphaxalone
25mg
$ 1320.00

TRC
Alphaxalone
10mg
$ 605.00

TRC
Alphaxalone
2.5mg
$ 165.00

Sigma-Aldrich
5α-Pregnan-3α-ol-11,20-dione powder, ≥98% (TLC)
10mg
$ 185.00

American Custom Chemicals Corporation
ALFAXALONE 95.00%
50MG
$ 1041.76

American Custom Chemicals Corporation
ALFAXALONE 95.00%
10MG
$ 660.95

Total 66 raw suppliers

Chemical Property of ALFAXALONE Edit

Chemical Property:

Vapor Pressure:9.95E-11mmHg at 25°C
Melting Point:172-174°
Refractive Index:1.532
Boiling Point:468.1 °C at 760 mmHg
PKA:15.05±0.70(Predicted)
Flash Point:251 °C
PSA：54.37000
Density:1.112 g/cm³
LogP:3.77420
Storage Temp.:Store at RT
Solubility.:chloroform: ≥5 mg/mL, clear, colorless
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:332.23514488
Heavy Atom Count:24
Complexity:569

Purity/Quality:

99%, ^*data from raw suppliers

Alphaxalone ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 22
Safety Statements: 22-36

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)C1CCC2C1(CC(=O)C3C2CCC4C3(CCC(C4)O)C)C
Isomeric SMILES:CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)O)C)C
Uses Anesthetic;nociception blocker
Therapeutic Function Anesthetic component

Technology Process of ALFAXALONE

There total 47 articles about ALFAXALONE which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

: 2724-68-7
3β-acetoxy-5α-pregn-16-ene-11,20-dione

: 565-99-1,566-00-7,16472-72-3,23930-19-0,82597-79-3,102849-04-7,600-59-9
UC₁₀₁₇

Guidance literature:: Multi-step reaction with 2 steps

1: palladium / Hydrogenation

2: methanol.KOH

With potassium hydroxide; palladium;
DOI:10.1002/hlca.19590420504

Reference yield:

: 2265-09-0
3β-acetoxy-17-bromo-16β-fluoro-5α-pregnane-11,20-dione

: 565-99-1,566-00-7,16472-72-3,23930-19-0,82597-79-3,102849-04-7,600-59-9
UC₁₀₁₇

Guidance literature:: With hydrogen; palladium on activated charcoal; In methanol;
DOI:10.1021/ja01500a051

Reference yield:

: 1169-20-6
3β-acetoxy-5α-pregn-16-en-20-one

: 565-99-1,566-00-7,16472-72-3,23930-19-0,82597-79-3,102849-04-7,600-59-9
UC₁₀₁₇

Guidance literature:: Multi-step reaction with 2 steps

1: AcNHBr, HF / CH₂Cl₂; tetrahydrofuran

2: H₂ / Pd-C / methanol

With hydrogen fluoride; hydrogen; N-bromoacetamide; palladium on activated charcoal; In tetrahydrofuran; methanol; dichloromethane;
DOI:10.1021/ja01500a051