CS-0834770
1-Benzyl 2,4-di-tert-butyl (3aR,6aS)-6,6-difluorotetrahydropyrrolo[3,2-c]pyrazole-1,2,4(3H)-tricarboxylate
Manufacturer: ChemScene
CAS Number: 2597337-46-5
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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
C₂₃H₃₁F₂N₃O₆
Molecular Weight
483.51
Synonyms
None
SMILES
CC(C)(C)OC(N1[C@@]2([H])[C@](C(F)(C1)F)([H])N(N(C2)C(OC(C)(C)C)=O)C(OCC3=CC=CC=C3)=O)=O
Tpsa
88.62
Logp
4.4141
H Acceptors
6
H Donors
0
Rotatable Bonds
2
Related Products
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: C₂₃H₃₁F₂N₃O₆
Molecular Weight: 483.51
Synonyms: None
SMILES: CC(C)(C)OC(N1[C@@]2([H])[C@](C(F)(C1)F)([H])N(N(C2)C(OC(C)(C)C)=O)C(OCC3=CC=CC=C3)=O)=O
Tpsa: 88.62
Logp: 4.4141
H Acceptors: 6
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:
C₂₃H₃₁F₂N₃O₆
Molecular Weight:
483.51
Synonyms:
None
SMILES:
CC(C)(C)OC(N1[C@@]2([H])[C@](C(F)(C1)F)([H])N(N(C2)C(OC(C)(C)C)=O)C(OCC3=CC=CC=C3)=O)=O
Tpsa:
88.62
Logp:
4.4141
H Acceptors:
6
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: C₁₅H₂₅F₂N₃O₄
Molecular Weight: 349.37
Synonyms: None
SMILES: CC(C)(C)OC(N1[C@@]2([H])[C@](C(F)(C1)F)([H])NN(C2)C(OC(C)(C)C)=O)=O
Tpsa: 71.11
Logp: 2.3649
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₂₅F₂N₃O₄
Molecular Weight:
349.37
Synonyms:
None
SMILES:
CC(C)(C)OC(N1[C@@]2([H])[C@](C(F)(C1)F)([H])NN(C2)C(OC(C)(C)C)=O)=O
Tpsa:
71.11
Logp:
2.3649
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
0
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₁₃N₃O₂
Molecular Weight: 291.30
Synonyms: None
SMILES: O=C(C1=CC=NC=C1)N/N=C/C2=C(O)C=CC3=C2C=CC=C3
Tpsa: 74.58
Logp: 2.7043
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 3
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₁₃N₃O₂
Molecular Weight:
291.30
Synonyms:
None
SMILES:
O=C(C1=CC=NC=C1)N/N=C/C2=C(O)C=CC3=C2C=CC=C3
Tpsa:
74.58
Logp:
2.7043
H Acceptors:
4
H Donors:
2
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: C₅H₈O₃S
Molecular Weight: 148.18
Synonyms: None
SMILES: C[C@H](OS(C)(=O)=O)C#C
Tpsa: 43.37
Logp: -0.0157
H Acceptors: 3
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:
C₅H₈O₃S
Molecular Weight:
148.18
Synonyms:
None
SMILES:
C[C@H](OS(C)(=O)=O)C#C
Tpsa:
43.37
Logp:
-0.0157
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
2