AZ876

CAT: 0127-BUP01287-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP01287-01Size:1 mg

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

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CAS Number

898800-26-5

Purity

=98%

Smiles

CC(C)(C)N1C(=O)C(Nc2ccc(cc2)N2CCCCC2)=C(c2ccccc2)S1(=O)=O

Chemical Information

AZ12260493

CAS Number	898800-26-5
PubChem CID	11655079
IUPAC Name	2-tert-butyl-1,1-dioxo-5-phenyl-4-(4-piperidin-1-ylanilino)-1,2-thiazol-3-one
Molecular Formula	C24H29N3O3S
Molecular Weight	439.6
XLogP	4.5
Topological Polar Surface Area	78.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	31
Formal Charge	0
Complexity	789

SMILES

CC(C)(C)N1C(=O)C(=C(S1(=O)=O)C2=CC=CC=C2)NC3=CC=C(C=C3)N4CCCCC4

InChI

InChI=1S/C24H29N3O3S/c1-24(2,3)27-23(28)21(22(31(27,29)30)18-10-6-4-7-11-18)25-19-12-14-20(15-13-19)26-16-8-5-9-17-26/h4,6-7,10-15,25H,5,8-9,16-17H2,1-3H3

InChIKey

IVANYIPLGFVBGR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 898800-26-5

CID: 11655079

Formula: C24H29N3O3S

MW: 439.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	439.6
XLogP3	4.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	439.19296297
Monoisotopic Mass	439.19296297
Topological Polar Surface Area	78.1 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	789
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

Alternative Products

Catalog	Name
BA7939-5.1	AZ876
A21026-5	AZ876 5mg
HY-18282R-01	AZ876 (Standard)
A21026-100	AZ876 100mg
A21026-25	AZ876 25mg
A21026-10	AZ876 10mg
A21026-50	AZ876 50mg

AZ876

Chemical Information

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