CS-1079296
Tert-butyl (3R,4aR,7aR)-3-hydroxy-7-oxooctahydro-1H-pyrrolo[3,4-b]pyridine-1-carboxylate
Manufacturer: ChemScene
CAS Number: 2920179-45-7
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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
C₁₂H₂₀N₂O₄
Molecular Weight
256.30
Synonyms
None
SMILES
C(OC(C)(C)C)(=O)N1[C@@]2([C@@](CNC2=O)(C[C@@H](O)C1)[H])[H]
Tpsa
78.87
Logp
0.1027
H Acceptors
4
H Donors
2
Rotatable Bonds
0
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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: C₁₂H₂₀N₂O₄
Molecular Weight: 256.30
Synonyms: None
SMILES: C(OC(C)(C)C)(=O)N1[C@@]2([C@@](CNC2=O)(C[C@@H](O)C1)[H])[H]
Tpsa: 78.87
Logp: 0.1027
H Acceptors: 4
H Donors: 2
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:
C₁₂H₂₀N₂O₄
Molecular Weight:
256.30
Synonyms:
None
SMILES:
C(OC(C)(C)C)(=O)N1[C@@]2([C@@](CNC2=O)(C[C@@H](O)C1)[H])[H]
Tpsa:
78.87
Logp:
0.1027
H Acceptors:
4
H Donors:
2
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: C₈H₁₂FNO₂
Molecular Weight: 173.18
Synonyms: None
SMILES: C(O)(=O)[C@]12N(C[C@H](F)C1)CCC2
Tpsa: 40.54
Logp: 0.6474
H Acceptors: 2
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:
C₈H₁₂FNO₂
Molecular Weight:
173.18
Synonyms:
None
SMILES:
C(O)(=O)[C@]12N(C[C@H](F)C1)CCC2
Tpsa:
40.54
Logp:
0.6474
H Acceptors:
2
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: C₁₃H₁₅NO₃
Molecular Weight: 233.26
Synonyms: None
SMILES: O=C1C[C@@H](NCC1)C2=CC=C(C(OC)=O)C=C2
Tpsa: 55.4
Logp: 1.4668
H Acceptors: 4
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:
C₁₃H₁₅NO₃
Molecular Weight:
233.26
Synonyms:
None
SMILES:
O=C1C[C@@H](NCC1)C2=CC=C(C(OC)=O)C=C2
Tpsa:
55.4
Logp:
1.4668
H Acceptors:
4
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: C₁₇H₂₁BrN₂O₄
Molecular Weight: 397.26
Synonyms: None
SMILES: [C@@H](CCC(OC(C)(C)C)=O)(C(N)=O)N1C(=O)C=2C(C1)=CC(Br)=CC2
Tpsa: 89.7
Logp: 2.3807
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₂₁BrN₂O₄
Molecular Weight:
397.26
Synonyms:
None
SMILES:
[C@@H](CCC(OC(C)(C)C)=O)(C(N)=O)N1C(=O)C=2C(C1)=CC(Br)=CC2
Tpsa:
89.7
Logp:
2.3807
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
5