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MK-7246

CAT: 0607-BA5711-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-BA5711-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1218918-62-7
Form
A solid
Molecular Formula
C21H21FN2O4S
Molecular Weight
416.47
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

MK-7246
CAS Number1218918-62-7
PubChem CID45268455
IUPAC Name2-[(7R)-7-[(4-fluorophenyl)sulfonyl-methylamino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid
Molecular FormulaC21H21FN2O4S
Molecular Weight416.5
XLogP2.8
Topological Polar Surface Area88
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity704
SMILES
CN([C@@H]1CCC2=C(C3=CC=CC=C3N2C1)CC(=O)O)S(=O)(=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C21H21FN2O4S/c1-23(29(27,28)16-9-6-14(22)7-10-16)15-8-11-20-18(12-21(25)26)17-4-2-3-5-19(17)24(20)13-15/h2-7,9-10,15H,8,11-13H2,1H3,(H,25,26)/t15-/m1/s1
InChIKey
JTCAGRAKUAAYDY-OAHLLOKOSA-N
Chemical Structure
2D Structure
2D structure of MK-7246
CAS: 1218918-62-7
CID: 45268455
Formula: C21H21FN2O4S
MW: 416.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight416.5
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass416.12060649
Monoisotopic Mass416.12060649
Topological Polar Surface Area88 Ų
Heavy Atom Count29
Formal Charge0
Complexity704
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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TQ0051-01MK-7246
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