Busulfan

CAT: 0013-GTR19162003-02Size: 1 gDry Ice: NoHazardous: No

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CAT#:0013-GTR19162003-02Size:1 g

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Description

Busulfan is a bifunctional alkylating agent.

CAS Number

55-98-1

Product Name Alternative

Field of Research

Pharmacology & Drug Discovery

Purity

>98% (HPLC)

Solubility

DMSO: 49 mg/mL (198.94 mM)

Smiles

CS (=O) (OCCCCOS (C) (=O) =O) =O

Molecular Formula

C6H14O6S2

Molecular Weight

246.3

Storage Conditions

Storage temperature: -20°C. Stability: ≥ 2 years

Notes

For research use only.

Other Product Names

Butane-1,4-diyl dimethanesulfonate

Chemical Information

Busulfan

1,4-Butanediol dimethanesulfonate (Busulfan) can cause cancer according to California Labor Code. It can cause developmental toxicity according to an independent committee of scientific and health experts.

CAS Number	55-98-1
PubChem CID	2478
IUPAC Name	4-methylsulfonyloxybutyl methanesulfonate
Molecular Formula	C6H14O6S2
Molecular Weight	246.3
XLogP	-0.5
Topological Polar Surface Area	104
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Heavy Atom Count	14
Formal Charge	0
Complexity	293

SMILES

CS(=O)(=O)OCCCCOS(=O)(=O)C

InChI

InChI=1S/C6H14O6S2/c1-13(7,8)11-5-3-4-6-12-14(2,9)10/h3-6H2,1-2H3

InChIKey

COVZYZSDYWQREU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 55-98-1

CID: 2478

Formula: C6H14O6S2

MW: 246.3

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	246.3
XLogP3	-0.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	246.02318051
Monoisotopic Mass	246.02318051
Topological Polar Surface Area	104 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	293
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
A8386-1000	Busulfan

Busulfan

Chemical Information

Alternative Products

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