Butroxydim

CAT: 0498-bs-75927C-02Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0498-bs-75927C-02Size:100 mg

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

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CAS Number

138164-12-2

Conjugation

Unconjugated

Purity

>97% (HPLC)

Buffer

Powder

Solubility

Soluble in methanol or dichloromethane. Insoluble in water.

Smiles

O=C1C(/C(CC)=N\OCC)=C(O)CC(C2=C(C)C=C(C)C(C(CCC)=O)=C2C)C1

Molecular Formula

C24H33NO4

Molecular Weight

399.5

Storage Conditions

Stable for 2 years after receipt when stored at +4°C.

Appearance

White powder.

Chemical Information

Butroxydim

Butroxydim is a butanone.

CAS Number	138164-12-2
PubChem CID	135405255
IUPAC Name	5-(3-butanoyl-2,4,6-trimethylphenyl)-2-[(E)-N-ethoxy-C-ethylcarbonimidoyl]-3-hydroxycyclohex-2-en-1-one
Molecular Formula	C24H33NO4
Molecular Weight	399.5
XLogP	4.6
Topological Polar Surface Area	76
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Heavy Atom Count	29
Formal Charge	0
Complexity	666

SMILES

CCCC(=O)C1=C(C=C(C(=C1C)C2CC(=C(C(=O)C2)/C(=N/OCC)/CC)O)C)C

InChI

InChI=1S/C24H33NO4/c1-7-10-19(26)23-15(5)11-14(4)22(16(23)6)17-12-20(27)24(21(28)13-17)18(8-2)25-29-9-3/h11,17,27H,7-10,12-13H2,1-6H3/b25-18+

InChIKey

ZOGDSYNXUXQGHF-XIEYBQDHSA-N

Chemical Structure

2D Structure

CAS: 138164-12-2

CID: 135405255

Formula: C24H33NO4

MW: 399.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	399.5
XLogP3	4.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Exact Mass	399.24095853
Monoisotopic Mass	399.24095853
Topological Polar Surface Area	76 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	666
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
GW5987-100mg	Butroxydim

Butroxydim

Chemical Information

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