CS-0803825
Tert-butyl (3aR,7R,7aS)-7-methyl-5-(3-nitro-4-pyridyl)-2-oxo-4,6,7,7a-tetrahydro-3aH-oxazolo[4,5-c]pyridine-3-carboxylate
Manufacturer: ChemScene
CAS Number: 1187056-33-2
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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
C₁₇H₂₂N₄O₆
Molecular Weight
378.38
Synonyms
None
SMILES
CC(C)(C)OC(=O)N1[C@@]2([H])[C@](OC1=O)([H])[C@H](C)CN(C3C(=CN=CC=3)[N+](=O)[O-])C2
Tpsa
115.11
Logp
2.5704
H Acceptors
8
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: C₁₇H₂₂N₄O₆
Molecular Weight: 378.38
Synonyms: None
SMILES: CC(C)(C)OC(=O)N1[C@@]2([H])[C@](OC1=O)([H])[C@H](C)CN(C3C(=CN=CC=3)[N+](=O)[O-])C2
Tpsa: 115.11
Logp: 2.5704
H Acceptors: 8
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:
C₁₇H₂₂N₄O₆
Molecular Weight:
378.38
Synonyms:
None
SMILES:
CC(C)(C)OC(=O)N1[C@@]2([H])[C@](OC1=O)([H])[C@H](C)CN(C3C(=CN=CC=3)[N+](=O)[O-])C2
Tpsa:
115.11
Logp:
2.5704
H Acceptors:
8
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: C₇H₁₂N₂O₂
Molecular Weight: 156.18
Synonyms: None
SMILES: O=C1O[C@]2([H])[C@](CNC[C@H]2C)([H])N1
Tpsa: 50.36
Logp: -0.2973
H Acceptors: 3
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:
C₇H₁₂N₂O₂
Molecular Weight:
156.18
Synonyms:
None
SMILES:
O=C1O[C@]2([H])[C@](CNC[C@H]2C)([H])N1
Tpsa:
50.36
Logp:
-0.2973
H Acceptors:
3
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: C₁₈H₂₅N₃O₄
Molecular Weight: 347.41
Synonyms: None
SMILES: CC(C)(C)OC(=O)N1[C@]2([H])[C@@](OC1=O)([H])[C@H](C)C[C@H](C3C(N)=CN=CC=3)C2
Tpsa: 94.75
Logp: 3.3018
H Acceptors: 6
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:
C₁₈H₂₅N₃O₄
Molecular Weight:
347.41
Synonyms:
None
SMILES:
CC(C)(C)OC(=O)N1[C@]2([H])[C@@](OC1=O)([H])[C@H](C)C[C@H](C3C(N)=CN=CC=3)C2
Tpsa:
94.75
Logp:
3.3018
H Acceptors:
6
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: C₁₉H₂₅N₃O₆
Molecular Weight: 391.42
Synonyms: None
SMILES: CC(=O)O[C@@H]1[C@@H](NC(=O)OC(C)(C)C)C=C(C[C@H]1C)C2C(=CN=CC=2)[N+](=O)[O-]
Tpsa: 120.66
Logp: 3.238
H Acceptors: 7
H Donors: 1
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:
C₁₉H₂₅N₃O₆
Molecular Weight:
391.42
Synonyms:
None
SMILES:
CC(=O)O[C@@H]1[C@@H](NC(=O)OC(C)(C)C)C=C(C[C@H]1C)C2C(=CN=CC=2)[N+](=O)[O-]
Tpsa:
120.66
Logp:
3.238
H Acceptors:
7
H Donors:
1
Rotatable Bonds:
4