All-trans-4-oxoretinoic acid

Base Information Edit

Chemical Name:All-trans-4-oxoretinoic acid
CAS No.:38030-57-8
Molecular Formula:C₂₀H₂₆O₃
Molecular Weight:314.425
Hs Code.:
UNII:CJN45G18UA
DSSTox Substance ID:DTXSID20865895
Nikkaji Number:J362.532J
Wikidata:Q27074387
Pharos Ligand ID:VD4K5CSLC46Z
Metabolomics Workbench ID:29049
ChEMBL ID:CHEMBL104049
Mol file:38030-57-8.mol

Synonyms:4-ketoretinoic acid;4-oxo-13-cis-retinoic acid;4-oxo-isotretinoin;4-oxo-trans-retinoic acid;4-oxoretinoic acid;4-oxoretinoic acid, (13-cis)-isomer;Ro 12-4824

Suppliers and Price of All-trans-4-oxoretinoic acid

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
all-trans 4-Keto Retinoic Acid-
1mg
$ 538.00

TRC
all-trans4-KetoRetinoicAcid
1mg
$ 105.00

Medical Isotopes, Inc.
4-Ketoall-trans-RetinoicAcid
1 mg
$ 190.00

Medical Isotopes, Inc.
4-Ketoall-trans-RetinoicAcid
5 mg
$ 590.00

Labseeker
ETHYL (4-FLUORO-2-METHYLBENZOYL) ACETATE 95
5g
$ 1467.00

Labseeker
ETHYL (4-FLUORO-2-METHYLBENZOYL) ACETATE 95
25g
$ 3245.00

Labseeker
ETHYL (4-FLUORO-2-METHYLBENZOYL) ACETATE 95
10g
$ 2163.00

DC Chemicals
all-trans-4-Oxoretinoicacid >98%
250 mg
$ 1700.00

ChemScene
all-trans-4-Oxoretinoicacid
5mg
$ 850.00

American Custom Chemicals Corporation
4-OXO-TRETINOIN 95.00%
25MG
$ 2001.04

Total 8 raw suppliers

Chemical Property of All-trans-4-oxoretinoic acid Edit

Chemical Property:

Vapor Pressure:8.92E-12mmHg at 25°C
Melting Point:175-178°C (dec.)
Boiling Point:509.9°C at 760 mmHg
PKA:4.73±0.33(Predicted)
Flash Point:276.3°C
PSA：54.37000
Density:1.07g/cm³
LogP:4.78160
Storage Temp.:Amber Vial, -20°C Freezer, Under Inert Atmosphere
Solubility.:Chloroform (Slightly), Methanol (Slightly)
XLogP3:4.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:314.18819469
Heavy Atom Count:23
Complexity:638

Purity/Quality:

99%+ ^*data from raw suppliers

all-trans 4-Keto Retinoic Acid- ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C(CCC1=O)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C
Isomeric SMILES:CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C
Uses A metabolite of all-trans-Retinoic Acid, a ligand for both the retinoic acid receptor (RAR) and the retinoid X receptor (RXR).

Technology Process of All-trans-4-oxoretinoic acid

There total 25 articles about All-trans-4-oxoretinoic acid 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: 87.0%