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CFMMC

CAT: 0013-GTR19199387-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19199387-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CFMMC
CAS Number
1190598-60-7
Field of Research
Neuroscience
Smiles
O=C1C=2C (=CC (OCCN3CCOCC3) =C (C) C2F) OC=C1C4CCCCC4
Molecular Formula
C22H28FNO4
Molecular Weight
389.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-cyclohexyl-5-fluoro-6-methyl-7-(2-morpholin-4-ylethoxy)-4H-chromen-4-one

an mGluR1 antagonist; structure in first source

CAS Number1190598-60-7
PubChem CID73755208
IUPAC Name3-cyclohexyl-5-fluoro-6-methyl-7-(2-morpholin-4-ylethoxy)chromen-4-one
Molecular FormulaC22H28FNO4
Molecular Weight389.5
XLogP4.2
Topological Polar Surface Area48
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity571
SMILES
CC1=C(C=C2C(=C1F)C(=O)C(=CO2)C3CCCCC3)OCCN4CCOCC4
InChI
InChI=1S/C22H28FNO4/c1-15-18(27-12-9-24-7-10-26-11-8-24)13-19-20(21(15)23)22(25)17(14-28-19)16-5-3-2-4-6-16/h13-14,16H,2-12H2,1H3
InChIKey
PHQKNLJAPYWXQQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-cyclohexyl-5-fluoro-6-methyl-7-(2-morpholin-4-ylethoxy)-4H-chromen-4-one
CAS: 1190598-60-7
CID: 73755208
Formula: C22H28FNO4
MW: 389.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight389.5
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass389.20023654
Monoisotopic Mass389.20023654
Topological Polar Surface Area48 Ų
Heavy Atom Count28
Formal Charge0
Complexity571
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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CatalogName
MBS5774962CFMMC

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