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Compound 1252793-57-9

CAT: 0931-TPL0058-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0931-TPL0058-01Size:200 mg
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CAS Number
1252793-57-9
Purity
0.9856
Bioactivity
Compound 1252793-57-9, with CAS No. 1252793-57-9, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound 1252793-57-9 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
CC1(C)OB(OC1(C)C)c1cccc2CCCc12
Molecular Formula
C15H21BO2
Molecular Weight
244.14
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-(2,3-dihydro-1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CAS Number1252793-57-9
PubChem CID68344390
IUPAC Name2-(2,3-dihydro-1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Molecular FormulaC15H21BO2
Molecular Weight244.14
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count18
Formal Charge0
Complexity310
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3CCCC3=CC=C2
InChI
InChI=1S/C15H21BO2/c1-14(2)15(3,4)18-16(17-14)13-10-6-8-11-7-5-9-12(11)13/h6,8,10H,5,7,9H2,1-4H3
InChIKey
DYTLGZWBDATBAZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2,3-dihydro-1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CAS: 1252793-57-9
CID: 68344390
Formula: C15H21BO2
MW: 244.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight244.14
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass244.1634601
Monoisotopic Mass244.1634601
Topological Polar Surface Area18.5 Ų
Heavy Atom Count18
Formal Charge0
Complexity310
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
BUP22110Compound 91-57-6
AR-T02112-01Ticagrelor Related Compound 57
GTR19164383New compound 9
GTR19254289-01Compound 84163-77-9
AR-C06016-01Captopril Related Compound 9
E1428-01Mps1-IN-6 (Compound 9)
AR-L01163-01Lansoprazole Related Compound 9
AR-I03525-01Indazole Related Compound 9
AR-I01358-01Imidafenacin Related Compound 9
AR-S01798-01Sorafenib Related Compound 9

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