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(S) -1-Tetralol

CAT: 0804-HY-W069545-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W069545-01Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
(S) -1-Tetralol is a substrate of AKR1C1, AKR1C2, AKR1C3, and AKR1C4, with Kms of 8, 22.5, 165, and 25 μM, respectively[1].
CAS Number
53732-47-1
UNSPSC
12352005
Hazard Statement
H315, H319, H335
Target
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Purity
99.75
Smiles
O[C@@H]1C=2C(CCC1)=CC=CC2
Molecular Formula
C10H12O
Molecular Weight
148.21
Precautions
H315, H319, H335
References & Citations
[1]Sinreih M, et al. N-Benzoyl anthranilic acid derivatives as selective inhibitors of aldo-keto reductase AKR1C3. Bioorg Med Chem Lett. 2012 Sep 15;22 (18) :5948-51.
Shipping Conditions
Room Temperature
Storage Conditions
Store at room temperature 3 years
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

1-Tetralol, (S)-
CAS Number53732-47-1
PubChem CID7058029
IUPAC Name(1S)-1,2,3,4-tetrahydronaphthalen-1-ol
Molecular FormulaC10H12O
Molecular Weight148.20
XLogP1.8
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity133
SMILES
C1C[C@@H](C2=CC=CC=C2C1)O
InChI
InChI=1S/C10H12O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10-11H,3,5,7H2/t10-/m0/s1
InChIKey
JAAJQSRLGAYGKZ-JTQLQIEISA-N
Chemical Structure
2D Structure
2D structure of 1-Tetralol, (S)-
CAS: 53732-47-1
CID: 7058029
Formula: C10H12O
MW: 148.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight148.20
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass148.088815002
Monoisotopic Mass148.088815002
Topological Polar Surface Area20.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity133
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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