CS-0253731
rel-(5aR,8aR)-tert-Butyl 3-iodo-5a,6,8,8a-tetrahydropyrrolo[3,4-b][1,2,3]triazolo[1,5-d][1,4]oxazine-7(4H)-carboxylate
Manufacturer: ChemScene
CAS Number: 2641076-06-2
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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
C₁₂H₁₇IN₄O₃
Molecular Weight
392.19
Synonyms
None
SMILES
CC(C)(C)OC(N1C[C@@]2([H])N3C(CO[C@]2([H])C1)=C(N=N3)I)=O
Tpsa
69.48
Logp
1.5733
H Acceptors
6
H Donors
0
Rotatable Bonds
0
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: C₁₂H₁₇IN₄O₃
Molecular Weight: 392.19
Synonyms: None
SMILES: CC(C)(C)OC(N1C[C@@]2([H])N3C(CO[C@]2([H])C1)=C(N=N3)I)=O
Tpsa: 69.48
Logp: 1.5733
H Acceptors: 6
H Donors: 0
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:
C₁₂H₁₇IN₄O₃
Molecular Weight:
392.19
Synonyms:
None
SMILES:
CC(C)(C)OC(N1C[C@@]2([H])N3C(CO[C@]2([H])C1)=C(N=N3)I)=O
Tpsa:
69.48
Logp:
1.5733
H Acceptors:
6
H Donors:
0
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: C₁₇H₂₀O₅
Molecular Weight: 304.34
Synonyms: None
SMILES: C=C[C@@]1([C@]2([H])[C@](OC(C)(O2)C)([H])O[C@@H]1C=O)OCC3=CC=CC=C3
Tpsa: 53.99
Logp: 2.2033
H Acceptors: 5
H Donors: 0
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:
C₁₇H₂₀O₅
Molecular Weight:
304.34
Synonyms:
None
SMILES:
C=C[C@@]1([C@]2([H])[C@](OC(C)(O2)C)([H])O[C@@H]1C=O)OCC3=CC=CC=C3
Tpsa:
53.99
Logp:
2.2033
H Acceptors:
5
H Donors:
0
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: C₁₁H₁₈O₅
Molecular Weight: 230.26
Synonyms: None
SMILES: COC1[C@@]2([H])[C@]3(OC(C)(O2)C)[C@]([C@@H](CC3)O)([H])O1
Tpsa: 57.15
Logp: 0.4027
H Acceptors: 5
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:
C₁₁H₁₈O₅
Molecular Weight:
230.26
Synonyms:
None
SMILES:
COC1[C@@]2([H])[C@]3(OC(C)(O2)C)[C@]([C@@H](CC3)O)([H])O1
Tpsa:
57.15
Logp:
0.4027
H Acceptors:
5
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: C₂₀H₂₁NO₃
Molecular Weight: 323.39
Synonyms: None
SMILES: O=C(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)N[C@H](C=O)C(C)C
Tpsa: 55.4
Logp: 3.7486
H Acceptors: 3
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:
C₂₀H₂₁NO₃
Molecular Weight:
323.39
Synonyms:
None
SMILES:
O=C(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)N[C@H](C=O)C(C)C
Tpsa:
55.4
Logp:
3.7486
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
5