CBM-301940

CAT: 0127-BUP21033-03Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP21033-03Size:10 mg

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

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CAS Number

902146-11-6

Synonyms

CBM301940

Purity

=98%

Smiles

O=C(NC(C)CC(=O)OC(C)(C)C)C1=NOC(C1)C(O)(C(F)(F)F)C(F)(F)F

Chemical Information

Tert-butyl 3-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4,5-dihydroisoxazole-3-carboxamido)butanoate

CAS Number	902146-11-6
PubChem CID	10387489
IUPAC Name	tert-butyl 3-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4,5-dihydro-1,2-oxazole-3-carbonyl]amino]butanoate
Molecular Formula	C15H20F6N2O5
Molecular Weight	422.32
XLogP	2.2
Topological Polar Surface Area	97.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	7
Heavy Atom Count	28
Formal Charge	0
Complexity	624

SMILES

CC(CC(=O)OC(C)(C)C)NC(=O)C1=NOC(C1)C(C(F)(F)F)(C(F)(F)F)O

InChI

InChI=1S/C15H20F6N2O5/c1-7(5-10(24)27-12(2,3)4)22-11(25)8-6-9(28-23-8)13(26,14(16,17)18)15(19,20)21/h7,9,26H,5-6H2,1-4H3,(H,22,25)

InChIKey

SBPVPWWNQIKSKL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 902146-11-6

CID: 10387489

Formula: C15H20F6N2O5

MW: 422.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	422.32
XLogP3	2.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	7
Exact Mass	422.12764072
Monoisotopic Mass	422.12764072
Topological Polar Surface Area	97.2 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	624
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1043212-01	Fmoc-Aph (Cbm) -Oh