Compound PDK0225

CAT: 0931-PDK0225-02Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0931-PDK0225-02Size:500 mg

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CAS Number

4570-41-6

Purity

0.98

Bioactivity

Compound PDK0225, with CAS No. 4570-41-6, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound PDK0225 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.

Smiles

NC1=NC2=CC=CC=C2O1

Molecular Formula

C7H6N2O

Molecular Weight

134.1353

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

2-Aminobenzoxazole

CAS Number	4570-41-6
PubChem CID	20707
IUPAC Name	1,3-benzoxazol-2-amine
Molecular Formula	C7H6N2O
Molecular Weight	134.14
XLogP	1.5
Topological Polar Surface Area	52.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	129

SMILES

C1=CC=C2C(=C1)N=C(O2)N

InChI

InChI=1S/C7H6N2O/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H2,8,9)

InChIKey

JPBLHOJFMBOCAF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4570-41-6

CID: 20707

Formula: C7H6N2O

MW: 134.14

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	134.14
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	134.048012819
Monoisotopic Mass	134.048012819
Topological Polar Surface Area	52.1 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	129
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

Related Products

Catalog	Name
PDK0255-01	Compound PDK0255
PDK0275-01	Compound PDK0275
PDK0235-01	Compound PDK0235
PDK0228-01	Compound PDK0228
PDK0325-01	Compound PDK0325
PDK0226-01	Compound PDK0226
PDK0252-01	Compound PDK0252
PDK0224-01	Compound PDK0224
PDK0223-01	Compound PDK0223
PDK0220-01	Compound PDK0220

Alternative Products

Catalog	Name
ALX-550-516-M025	Compound A
XXC35825-01	Compound 3a
HY-14176-01	Compound E
255023-01	Compound 401
HY-U00358	Compound 2
1898-200	Compound 34
2573-5	Compound 112254
MBS3613444-01	Compound W
MBS3613725-01	Compound 3344
MBS3613756-01	Compound 23

Compound PDK0225

Chemical Information

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