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Chemical structure of N-Boc Sitagliptin

GC49833

N-Boc Sitagliptin

Also known as tert-butyl N-[(2R)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate

An intermediate in the synthesis of (-)-sitagliptin

ChemicalCAS486460-23-5MW507.4FormulaC21H23F6N5O3
CAS number
486460-23-5
Molecular weight
507.4
Formula
C21H23F6N5O3
Solubility
DMF： 20 mg/mL,DMSO： 16 mg/mL,Ethanol： Slightly soluble,PBS (pH 7·2)： 0·25 mg/mL
InChIKey
RHCVXZBZEKGRQP-GFCCVEGCSA-N
Catalogue number
GC49833
Brand
GLPBIO
Computed properties PubChem CID 46836576 · XLogP 2.3 · TPSA 89.4 Ų · H-bond donors 1
XLogP
2.3
TPSA
89.4 Ų
H-bond donors
1
H-bond acceptors
11
Rotatable bonds
7
Heavy atoms
35

SMILES CC(C)(C)OC(=O)N[C@H](CC1=CC(=C(C=C1F)F)F)CC(=O)N2CCN3C(=NN=C3C(F)(F)F)C2

Computed descriptors from PubChem (CID 46836576), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Documents
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