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UBP646

CAT: 0931-T24916-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T24916-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1333213-35-6
Target
Others, iGluR
Related Pathways
Membrane transporter/Ion channel, Others, Neuroscience
Bioactivity
UBP646 is a GluN1/GluN2 receptors potentiator.
Smiles
C(CCC(C)C)C1=C2C(=C3C(=C1)C=CC(C(O)=O)=C3)C=CC=C2
Molecular Formula
C21H22O2
Molecular Weight
306.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

9-(4-Methyl-pentyl)-phenanthrene-3-carboxylic acid
CAS Number1333213-35-6
PubChem CID88563699
IUPAC Name9-(4-methylpentyl)phenanthrene-3-carboxylic acid
Molecular FormulaC21H22O2
Molecular Weight306.4
XLogP6.6
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity403
SMILES
CC(C)CCCC1=CC2=C(C=C(C=C2)C(=O)O)C3=CC=CC=C31
InChI
InChI=1S/C21H22O2/c1-14(2)6-5-7-15-12-16-10-11-17(21(22)23)13-20(16)19-9-4-3-8-18(15)19/h3-4,8-14H,5-7H2,1-2H3,(H,22,23)
InChIKey
RVXZSOOCKAKOHJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 9-(4-Methyl-pentyl)-phenanthrene-3-carboxylic acid
CAS: 1333213-35-6
CID: 88563699
Formula: C21H22O2
MW: 306.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight306.4
XLogP36.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass306.161979940
Monoisotopic Mass306.161979940
Topological Polar Surface Area37.3 Ų
Heavy Atom Count23
Formal Charge0
Complexity403
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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