CS-0834740
rel-1-Benzyl 2,4-di-tert-butyl (3aR,6aS)-6-oxotetrahydropyrrolo[3,2-c]pyrazole-1,2,4(3H)-tricarboxylate
Manufacturer: ChemScene
CAS Number: 2597337-41-0
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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
C₂₃H₃₁N₃O₇
Molecular Weight
461.51
Synonyms
None
SMILES
O=C(N1N(C(OC(C)(C)C)=O)C[C@](N(C(OC(C)(C)C)=O)C2)([H])[C@@]1([H])C2=O)OCC3=CC=CC=C3
Tpsa
105.69
Logp
3.3479
H Acceptors
7
H Donors
0
Rotatable Bonds
2
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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: C₂₃H₃₁N₃O₇
Molecular Weight: 461.51
Synonyms: None
SMILES: O=C(N1N(C(OC(C)(C)C)=O)C[C@](N(C(OC(C)(C)C)=O)C2)([H])[C@@]1([H])C2=O)OCC3=CC=CC=C3
Tpsa: 105.69
Logp: 3.3479
H Acceptors: 7
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:
C₂₃H₃₁N₃O₇
Molecular Weight:
461.51
Synonyms:
None
SMILES:
O=C(N1N(C(OC(C)(C)C)=O)C[C@](N(C(OC(C)(C)C)=O)C2)([H])[C@@]1([H])C2=O)OCC3=CC=CC=C3
Tpsa:
105.69
Logp:
3.3479
H Acceptors:
7
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: C₁₄H₂₅NO₄
Molecular Weight: 271.35
Synonyms: None
SMILES: O=C(N1CC(C(O)=O)(C(C)(C)C)CC1)OC(C)(C)C
Tpsa: 66.84
Logp: 2.7443
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₂₅NO₄
Molecular Weight:
271.35
Synonyms:
None
SMILES:
O=C(N1CC(C(O)=O)(C(C)(C)C)CC1)OC(C)(C)C
Tpsa:
66.84
Logp:
2.7443
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₇ClFNO
Molecular Weight: 187.60
Synonyms: None
SMILES: NC1=CC2=C(COC2)C(Cl)=C1F
Tpsa: 35.25
Logp: 2.0915
H Acceptors: 2
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:
C₈H₇ClFNO
Molecular Weight:
187.60
Synonyms:
None
SMILES:
NC1=CC2=C(COC2)C(Cl)=C1F
Tpsa:
35.25
Logp:
2.0915
H Acceptors:
2
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: C₁₉H₂₇N₃O₄
Molecular Weight: 361.44
Synonyms: None
SMILES: O=C(N1CC2(N(C(OCC3=CC=CC=C3)=O)CCNC2)C1)OC(C)(C)C
Tpsa: 71.11
Logp: 2.2179
H Acceptors: 5
H Donors: 1
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:
C₁₉H₂₇N₃O₄
Molecular Weight:
361.44
Synonyms:
None
SMILES:
O=C(N1CC2(N(C(OCC3=CC=CC=C3)=O)CCNC2)C1)OC(C)(C)C
Tpsa:
71.11
Logp:
2.2179
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
2