(5E)-Calcipotriol

Base Information Edit

Chemical Name:(5E)-Calcipotriol
CAS No.:113082-99-8
Molecular Formula:C27H40O3
Molecular Weight:412.613
Hs Code.:2906195000
European Community (EC) Number:601-218-4,688-307-1
UNII:QRA3492A7Q
DSSTox Substance ID:DTXSID601098903
Wikipedia:Calcipotriol
Wikidata:Q27287462
Pharos Ligand ID:QFPDJ41QLL3M
ChEMBL ID:CHEMBL4796961
Mol file:113082-99-8.mol

Synonyms:1,24(OH)2-22-ene-24-cyclopropyl D3;calcipotriene;calcipotriol;Daivonex;Dovonex;heximar win care;MC 903;MC-903;MC903;PRI-2205;Psorcutan;Sorilux

Suppliers and Price of (5E)-Calcipotriol

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

TRC
(5E)-Calcipotriene
5mg
$ 1265.00

ChemScene
CalcipotriolImpurityC 99.20%
5mg
$ 850.00

ChemScene
CalcipotriolImpurityC 99.20%
10mg
$ 1500.00

ChemScene
CalcipotriolImpurityC 99.20%
1mg
$ 280.00

ChemScene
CalcipotriolImpurityC 99.20%
50mg
$ 4200.00

Biosynth Carbosynth
(5E)-Calcipotriene
10 mg
$ 3000.00

Biosynth Carbosynth
(5E)-Calcipotriene
5 mg
$ 2000.00

Biosynth Carbosynth
(5E)-Calcipotriene
2 mg
$ 1000.00

Biosynth Carbosynth
(5E)-Calcipotriene
1 mg
$ 600.00

Biosynth Carbosynth
(5E)-Calcipotriene
500 ug
$ 350.00

Total 15 raw suppliers

Chemical Property of (5E)-Calcipotriol Edit

Chemical Property:

Boiling Point:582.0±50.0 °C(Predicted)
PKA:14.29±0.20(Predicted)
PSA：60.69000
Density:1.12
LogP:5.09060
XLogP3:4.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:412.29774513
Heavy Atom Count:30
Complexity:743

Purity/Quality:

99% ^*data from raw suppliers

(5E)-Calcipotriene ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C=CC(C1CC1)O)C2CCC3C2(CCCC3=CC=C4CC(CC(C4=C)O)O)C
Isomeric SMILES:C[C@H](/C=C/[C@H](C1CC1)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C\4/C[C@H](C[C@@H](C4=C)O)O)C
Recent EU Clinical Trials:Exploratory study of the efficacy and safety of topical bimiralisib in an inflammatory and hyperproliferative skin condition
Uses The trans-isomeric impurity of Calcipotriene (C144200) and a vitamin D3 analogue with antitumor effects.

Technology Process of (5E)-Calcipotriol

There total 2 articles about (5E)-Calcipotriol 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: