Products for Research Use Only
RegisterLogin

N-Boc-Sitagliptin

CAT: 0024-sc-503915Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0024-sc-503915Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
486460-23-5

Chemical Information

N-Boc-sitagliptin
CAS Number486460-23-5
PubChem CID46836576
IUPAC Nametert-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
Molecular FormulaC21H23F6N5O3
Molecular Weight507.4
XLogP2.3
Topological Polar Surface Area89.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Heavy Atom Count35
Formal Charge0
Complexity767
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
InChI
InChI=1S/C21H23F6N5O3/c1-20(2,3)35-19(34)28-12(6-11-7-14(23)15(24)9-13(11)22)8-17(33)31-4-5-32-16(10-31)29-30-18(32)21(25,26)27/h7,9,12H,4-6,8,10H2,1-3H3,(H,28,34)/t12-/m1/s1
InChIKey
RHCVXZBZEKGRQP-GFCCVEGCSA-N
Chemical Structure
2D Structure
2D structure of N-Boc-sitagliptin
CAS: 486460-23-5
CID: 46836576
Formula: C21H23F6N5O3
MW: 507.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight507.4
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Exact Mass507.17050859
Monoisotopic Mass507.17050859
Topological Polar Surface Area89.4 Ų
Heavy Atom Count35
Formal Charge0
Complexity767
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
sc-479941N-Acetyl Sitagliptin
sc-479942N-Acetyl Sitagliptin-d3
sc-482298ASitagliptin
sc-482298Sitagliptin
sc-482298BSitagliptin
sc-212930Sitagliptin N-Sulfate Sodium Salt
sc-208294Rac-Sitagliptin
sc-208391Sitagliptin Phosphate
sc-220106Sitagliptin-d4 Phosphate
sc-364620Sitagliptin phosphate monohydrate

Alternative Products

CatalogName
HY-131250-01N-Boc-Sitagliptin
AR-S01601-01Sitagliptin N-Boc Impurity
AR-S09384-01Sitagliptin N-Boc Dimer Impurity
AR-S01593-01(S) -Sitagliptin N-Boc-Acid Impurity
AR-S01600-01(R) -Sitagliptin N-Boc-Acid Impurity
AR-S01594-01(R) -Sitagliptin N-Boc-Methyl-Ester Impurity
AR-S01639-015-Desfluoro Sitagliptin N-Boc Acid Impurity
574283Sitagliptin N-sulfate
TRC-S491065-50MGN-Formyl Sitagliptin
AR-S01578-01Sitagliptin-N-sulfate

Popular Products