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 Number	2447607-85-2
PubChem CID	169450734
IUPAC Name	2,6-dimethyl-4-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]phenol
Molecular Formula	C24H23NO3S
Molecular Weight	405.5
XLogP	5.9
Topological Polar Surface Area	67.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	29
Formal Charge	0
Complexity	640

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

CAS: 2447607-85-2

CID: 169450734

Formula: C24H23NO3S

MW: 405.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	405.5
XLogP3	5.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	405.13986477
Monoisotopic Mass	405.13986477
Topological Polar Surface Area	67.7 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	640
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
HY-156432-01	ALK-IN-26
305587-01	ALK