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Compound FL0165

CAT: 0931-FL0165-02Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0931-FL0165-02Size:200 mg
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CAS Number
398491-59-3
Bioactivity
Compound FL0165, with CAS No. 398491-59-3, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound FL0165 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)N1Cc2[nH]nc(N)c2C1
Molecular Formula
C10H16N4O2
Molecular Weight
224.264
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-Amino-2,6-dihydro-pyrrolo(3,4-c)pyrazole-5(4H)-carboxylic acid 1,1-dimethylethyl ester
CAS Number398491-59-3
PubChem CID11333571
IUPAC Nametert-butyl 3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate
Molecular FormulaC10H16N4O2
Molecular Weight224.26
XLogP0.2
Topological Polar Surface Area84.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity289
SMILES
CC(C)(C)OC(=O)N1CC2=C(C1)NN=C2N
InChI
InChI=1S/C10H16N4O2/c1-10(2,3)16-9(15)14-4-6-7(5-14)12-13-8(6)11/h4-5H2,1-3H3,(H3,11,12,13)
InChIKey
BEVRTOCHMXNPLY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Amino-2,6-dihydro-pyrrolo(3,4-c)pyrazole-5(4H)-carboxylic acid 1,1-dimethylethyl ester
CAS: 398491-59-3
CID: 11333571
Formula: C10H16N4O2
MW: 224.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight224.26
XLogP30.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass224.12732577
Monoisotopic Mass224.12732577
Topological Polar Surface Area84.2 Ų
Heavy Atom Count16
Formal Charge0
Complexity289
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

Related Products

CatalogName
FL0185-01Compound FL0185
FL0115-01Compound FL0115
FL0156-01Compound FL0156
FL0155-01Compound FL0155
FL0145-01Compound FL0145
FL0105-01Compound FL0105
FL0065-01Compound FL0065
FL0166-01Compound FL0166
FL0162-01Compound FL0162
FL0175-01Compound FL0175

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