CS-0542755
2-((1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl)methyl)-3a,7a-dihydro-1H-isoindole-1,3(2H)-dione
Manufacturer: ChemScene
CAS Number: 1354703-89-1
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₄H₁₂F₃N₃O₂
Molecular Weight
311.26
Synonyms
2-(1-Methyl-5-trifluoromethyl-1H-pyrazol-3-ylmethyl)-3a,7a-dihydro-isoindole-1,3-dione
SMILES
CN1C(=CC(=N1)CN2C(=O)C3C=CC=CC3C2=O)C(F)(F)F
Tpsa
55.2
Logp
1.6661
H Acceptors
4
H Donors
0
Rotatable Bonds
2
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 1354703-89-1 | 2-{[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]methyl}-3a,7a-dihydro-1H-isoindole-1,3(2H)-dione | A2B Chem | -- |
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SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₂F₃N₃O₂
Molecular Weight: 311.26
Synonyms: 2-(1-Methyl-5-trifluoromethyl-1H-pyrazol-3-ylmethyl)-3a,7a-dihydro-isoindole-1,3-dione
SMILES: CN1C(=CC(=N1)CN2C(=O)C3C=CC=CC3C2=O)C(F)(F)F
Tpsa: 55.2
Logp: 1.6661
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₂F₃N₃O₂
Molecular Weight:
311.26
Synonyms:
2-(1-Methyl-5-trifluoromethyl-1H-pyrazol-3-ylmethyl)-3a,7a-dihydro-isoindole-1,3-dione
SMILES:
CN1C(=CC(=N1)CN2C(=O)C3C=CC=CC3C2=O)C(F)(F)F
Tpsa:
55.2
Logp:
1.6661
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₀H₂₂N₄OS
Molecular Weight: 366.48
Synonyms: None
SMILES: CC1(CC2=C(C(=NCC3=CC=CC=C3)C1)SC4=NC=NC(=C4N2)OC)C
Tpsa: 59.4
Logp: 4.6756
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₂₂N₄OS
Molecular Weight:
366.48
Synonyms:
None
SMILES:
CC1(CC2=C(C(=NCC3=CC=CC=C3)C1)SC4=NC=NC(=C4N2)OC)C
Tpsa:
59.4
Logp:
4.6756
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₄BrN₅
Molecular Weight: 284.16
Synonyms: None
SMILES: CN(C)CCNC1=C2C(NC=C2Br)=NC=N1
Tpsa: 56.84
Logp: 1.6939
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₄BrN₅
Molecular Weight:
284.16
Synonyms:
None
SMILES:
CN(C)CCNC1=C2C(NC=C2Br)=NC=N1
Tpsa:
56.84
Logp:
1.6939
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₁N₄Na₃O₁₁P₂
Molecular Weight: 494.13
Synonyms: trisodium 5'-O-[(phosphonatooxy)phosphinato]inosine
SMILES: O[C@@H]1[C@H](O)[C@@H](COP(OP([O-])([O-])=O)([O-])=O)O[C@H]1N2C=NC3=C2N=CNC3=O.[Na+].[Na+].[Na+]
Tpsa: 235.04
Logp: -12.9189
H Acceptors: 14
H Donors: 3
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₁N₄Na₃O₁₁P₂
Molecular Weight:
494.13
Synonyms:
trisodium 5'-O-[(phosphonatooxy)phosphinato]inosine
SMILES:
O[C@@H]1[C@H](O)[C@@H](COP(OP([O-])([O-])=O)([O-])=O)O[C@H]1N2C=NC3=C2N=CNC3=O.[Na+].[Na+].[Na+]
Tpsa:
235.04
Logp:
-12.9189
H Acceptors:
14
H Donors:
3
Rotatable Bonds:
6