CS-0227566
(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: 1632258-68-4
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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
O=C(N1C[C@@]2([H])OCC3=C(I)N=NN3[C@]2([H])C1)OC(C)(C)C
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: O=C(N1C[C@@]2([H])OCC3=C(I)N=NN3[C@]2([H])C1)OC(C)(C)C
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:
O=C(N1C[C@@]2([H])OCC3=C(I)N=NN3[C@]2([H])C1)OC(C)(C)C
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: C₆H₁₂BNO₂
Molecular Weight: 140.98
Synonyms: None
SMILES: CN1CC=C(B(O)O)CC1
Tpsa: 43.7
Logp: -0.7397
H Acceptors: 3
H Donors: 2
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:
C₆H₁₂BNO₂
Molecular Weight:
140.98
Synonyms:
None
SMILES:
CN1CC=C(B(O)O)CC1
Tpsa:
43.7
Logp:
-0.7397
H Acceptors:
3
H Donors:
2
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: C₁₃H₂₄N₄O₂
Molecular Weight: 268.36
Synonyms: None
SMILES: O=C(OC(C)(C)C)NCC1=NNC(CCCCC)=N1
Tpsa: 79.9
Logp: 2.5621
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₂₄N₄O₂
Molecular Weight:
268.36
Synonyms:
None
SMILES:
O=C(OC(C)(C)C)NCC1=NNC(CCCCC)=N1
Tpsa:
79.9
Logp:
2.5621
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₆BrFN₂
Molecular Weight: 241.06
Synonyms: None
SMILES: NC1=NC2=CC(Br)=CC=C2C=C1F
Tpsa: 38.91
Logp: 2.7186
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:
C₉H₆BrFN₂
Molecular Weight:
241.06
Synonyms:
None
SMILES:
NC1=NC2=CC(Br)=CC=C2C=C1F
Tpsa:
38.91
Logp:
2.7186
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
0