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Compound 214139-26-1

CAT: 0931-TPL0158-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0931-TPL0158-01Size:200 mg
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CAS Number
214139-26-1
Purity
0.9501
Bioactivity
Compound 214139-26-1, with CAS No. 214139-26-1, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound 214139-26-1 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
CC(C)(C)OC(=O)NC1(CCc2ccccc12)C(O)=O
Molecular Formula
C15H19NO4
Molecular Weight
277.32
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-((tert-Butoxycarbonyl)amino)-2,3-dihydro-1H-indene-1-carboxylic acid
CAS Number214139-26-1
PubChem CID2733195
IUPAC Name1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid
Molecular FormulaC15H19NO4
Molecular Weight277.31
XLogP2.4
Topological Polar Surface Area75.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity401
SMILES
CC(C)(C)OC(=O)NC1(CCC2=CC=CC=C21)C(=O)O
InChI
InChI=1S/C15H19NO4/c1-14(2,3)20-13(19)16-15(12(17)18)9-8-10-6-4-5-7-11(10)15/h4-7H,8-9H2,1-3H3,(H,16,19)(H,17,18)
InChIKey
UZCCJRDJRMVGLU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-((tert-Butoxycarbonyl)amino)-2,3-dihydro-1H-indene-1-carboxylic acid
CAS: 214139-26-1
CID: 2733195
Formula: C15H19NO4
MW: 277.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight277.31
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass277.13140809
Monoisotopic Mass277.13140809
Topological Polar Surface Area75.6 Ų
Heavy Atom Count20
Formal Charge0
Complexity401
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
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AR-A01732-01Alogliptin Related Compound 26
AR-S01772-01Solifenacin Related Compound 26
AR-T02077-01Ticagrelor Related Compound 26
CS-P-02224Tofacitinib Related Compound 26 HCl
AR-S10629-01Solifenacin Related Compound 26 HCl
AR-S10659-01Sorafenib Related Compound 26 HCl
AR-A04800-01Alogliptin Related Compound 26 Benzoate Salt
TRC-T528035-100MGTofacitinib Related Compound 26 Hydrochloric Acid Salt
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