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ALK-IN-26

CAT: 0607-BA3395-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-BA3395-25Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2447607-85-2
Form
A solid
Molecular Formula
C24H23NO3S
Molecular Weight
405.51
Shipping Conditions
Blue ice
Storage Conditions
4°C, protect from light.

Chemical Information

Alk-IN-26
CAS Number2447607-85-2
PubChem CID169450734
IUPAC Name2,6-dimethyl-4-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]phenol
Molecular FormulaC24H23NO3S
Molecular Weight405.5
XLogP5.9
Topological Polar Surface Area67.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity640
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)CC4=CC(=C(C(=C4)C)O)C
InChI
InChI=1S/C24H23NO3S/c1-16-8-10-21(11-9-16)29(27,28)25-15-20(22-6-4-5-7-23(22)25)14-19-12-17(2)24(26)18(3)13-19/h4-13,15,26H,14H2,1-3H3
InChIKey
FBLPWEPWFONTID-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Alk-IN-26
CAS: 2447607-85-2
CID: 169450734
Formula: C24H23NO3S
MW: 405.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight405.5
XLogP35.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass405.13986477
Monoisotopic Mass405.13986477
Topological Polar Surface Area67.7 Ų
Heavy Atom Count29
Formal Charge0
Complexity640
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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