Products for Research Use Only

Dichloro-all-trans-retinone

CAT: 0013-GTR19210076-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210076-01Size:50 mg
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Description
Dichloro-all-trans-retinone is an irreversible, selective inhibitor of retinaldehyde dehydrogenase enzymes (RALDH1, 2, and 3) . It is a valuable chemical tool for studying retinoic acid synthesis in developmental biology, neurobiology, and cancer research, applicable in both cellular and animal models.
CAS Number
2089135-65-7
Smiles
C (=C/C (=C/C=C/C (=C/C (C (Cl) Cl) =O) /C) /C) \C=1C (C) (C) CCCC1C
Molecular Formula
C21H28Cl2O
Molecular Weight
367.35
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Dichloro-all-trans-retinone
CAS Number2089135-65-7
PubChem CID135322439
IUPAC Name(3E,5E,7E,9E)-1,1-dichloro-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraen-2-one
Molecular FormulaC21H28Cl2O
Molecular Weight367.3
XLogP7.8
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity614
SMILES
CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)C(Cl)Cl)/C)/C
InChI
InChI=1S/C21H28Cl2O/c1-15(8-6-9-16(2)14-19(24)20(22)23)11-12-18-17(3)10-7-13-21(18,4)5/h6,8-9,11-12,14,20H,7,10,13H2,1-5H3/b9-6+,12-11+,15-8+,16-14+
InChIKey
NWWAQIKCANAFJE-YCNIQYBTSA-N
Chemical Structure
2D Structure
2D structure of Dichloro-all-trans-retinone
CAS: 2089135-65-7
CID: 135322439
Formula: C21H28Cl2O
MW: 367.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight367.3
XLogP37.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Exact Mass366.1517209
Monoisotopic Mass366.1517209
Topological Polar Surface Area17.1 Ų
Heavy Atom Count24
Formal Charge0
Complexity614
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes