STF-118804

CAT: 0127-BUP05890-06Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP05890-06Size:100 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

894187-61-2

Synonyms

STF118804, STF 118804

Purity

=98%

Smiles

Cc1oc(nc1CS(=O)(=O)c1ccc(C)cc1)-c1ccc(cc1)C(=O)NCc1cccnc1

Chemical Information

4-(5-Methyl-4-(tosylmethyl)oxazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide

CAS Number	894187-61-2
PubChem CID	20916937
IUPAC Name	4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)benzamide
Molecular Formula	C25H23N3O4S
Molecular Weight	461.5
XLogP	3.2
Topological Polar Surface Area	111
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Heavy Atom Count	33
Formal Charge	0
Complexity	739

SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(OC(=N2)C3=CC=C(C=C3)C(=O)NCC4=CN=CC=C4)C

InChI

InChI=1S/C25H23N3O4S/c1-17-5-11-22(12-6-17)33(30,31)16-23-18(2)32-25(28-23)21-9-7-20(8-10-21)24(29)27-15-19-4-3-13-26-14-19/h3-14H,15-16H2,1-2H3,(H,27,29)

InChIKey

DLFCEZOMHBPDGI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 894187-61-2

CID: 20916937

Formula: C25H23N3O4S

MW: 461.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	461.5
XLogP3	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	461.14092740
Monoisotopic Mass	461.14092740
Topological Polar Surface Area	111 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	739
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

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Alternative Products

Catalog	Name
B2033-50	STF-118804
256766-01	STF 118804
A14072-50	STF 118804 50mg
A14072-25	STF 118804 25mg

STF-118804

Chemical Information

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