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Tolpyralate

CAT: 1596-AR-T02551-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-T02551-02Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1101132-67-5
Synonyms
1- ((1-ethyl-4- (3- (2-methoxyethoxy) -2-methyl-4- (methylsulfonyl) benzoyl) -1H-pyrazol-5-yl) oxy) ethyl methyl carbonate; 1-?[[1-Ethyl-?4-?[3-? (2-?methoxyethoxy) ?-?2-?methyl-?4-? (methylsulfonyl) ?benzoyl]?-?1H-?pyrazol-?5-?yl]?oxy]?ethyl Methyl Ester Carbonic Acid
Molecular Formula
C21H28N2O9S
Molecular Weight
484.52
API Name
Tolpyralate

Chemical Information

Tolpyralate

1-({1-ethyl-4-[3-(2-methoxyethoxy)-2-methyl-4-(methylsulfonyl)benzoyl]-1H-pyrazol-5-yl}oxy)ethyl methyl carbonate is a benzoylpyrazole that is 1H-pyrazole substituted by an ethyl, 3-(2-methoxyethoxy)-2-methyl-4-(methylsulfonyl)benzoyl, and 1-[(methoxycarbonyl)oxy]ethoxy groups at positions 1, 4 and 5, respectively. It is a member of toluenes, an aromatic ether, a sulfone, a benzoylpyrazole, a carbonate ester and an aromatic ketone.

CAS Number1101132-67-5
PubChem CID44473182
IUPAC Name1-[1-ethyl-4-[3-(2-methoxyethoxy)-2-methyl-4-methylsulfonylbenzoyl]pyrazol-5-yl]oxyethyl methyl carbonate
Molecular FormulaC21H28N2O9S
Molecular Weight484.5
XLogP2.4
Topological Polar Surface Area141
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count13
Heavy Atom Count33
Formal Charge0
Complexity757
SMILES
CCN1C(=C(C=N1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)OCCOC)C)OC(C)OC(=O)OC
InChI
InChI=1S/C21H28N2O9S/c1-7-23-20(31-14(3)32-21(25)29-5)16(12-22-23)18(24)15-8-9-17(33(6,26)27)19(13(15)2)30-11-10-28-4/h8-9,12,14H,7,10-11H2,1-6H3
InChIKey
GHLCSCRDVVEUQD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tolpyralate
CAS: 1101132-67-5
CID: 44473182
Formula: C21H28N2O9S
MW: 484.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight484.5
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count13
Exact Mass484.15155165
Monoisotopic Mass484.15155165
Topological Polar Surface Area141 Ų
Heavy Atom Count33
Formal Charge0
Complexity757
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

Alternative Products

CatalogName
BUB13267-01Tolpyralate

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