CS-0618256
(S)-1-tert-Butyl 2-methyl 5-bromo-3,4-dihydropyridine-1,2(2H)-dicarboxylate
Manufacturer: ChemScene
CAS Number: 2120046-62-8
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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
C₁₂H₁₈BrNO₄
Molecular Weight
320.18
Synonyms
None
SMILES
O=C(N1C=C(Br)CC[C@H]1C(OC)=O)OC(C)(C)C
Tpsa
55.84
Logp
2.7952
H Acceptors
4
H Donors
0
Rotatable Bonds
1
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: C₁₂H₁₈BrNO₄
Molecular Weight: 320.18
Synonyms: None
SMILES: O=C(N1C=C(Br)CC[C@H]1C(OC)=O)OC(C)(C)C
Tpsa: 55.84
Logp: 2.7952
H Acceptors: 4
H Donors: 0
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:
C₁₂H₁₈BrNO₄
Molecular Weight:
320.18
Synonyms:
None
SMILES:
O=C(N1C=C(Br)CC[C@H]1C(OC)=O)OC(C)(C)C
Tpsa:
55.84
Logp:
2.7952
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: -20°C, sealed storage, away from moisture
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₁₆N₄O₇
Molecular Weight: 280.24
Synonyms: None
SMILES: [N-]=[N+]=NC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CC(C(O)=O)=O.N
Tpsa: 219.05
Logp: -2.0539
H Acceptors: 8
H Donors: 6
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
-20°C, sealed storage, away from moisture
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₁₆N₄O₇
Molecular Weight:
280.24
Synonyms:
None
SMILES:
[N-]=[N+]=NC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CC(C(O)=O)=O.N
Tpsa:
219.05
Logp:
-2.0539
H Acceptors:
8
H Donors:
6
Rotatable Bonds:
8
Purity: 98%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₉H₃₈N₂O₂
Molecular Weight: 446.62
Synonyms: None
SMILES: CC(C)(C)[C@H](CO1)N=C1C(CC2=CC=CC=C2)(C3=N[C@H](CO3)C(C)(C)C)CC4=CC=CC=C4
Tpsa: 43.18
Logp: 6.145
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₉H₃₈N₂O₂
Molecular Weight:
446.62
Synonyms:
None
SMILES:
CC(C)(C)[C@H](CO1)N=C1C(CC2=CC=CC=C2)(C3=N[C@H](CO3)C(C)(C)C)CC4=CC=CC=C4
Tpsa:
43.18
Logp:
6.145
H Acceptors:
4
H Donors:
0
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: C₇₀H₉₃Br₂F₄N₃S₆Sn₂
Molecular Weight: 1642.12
Synonyms: None
SMILES: FC1=C(CC(CCCC)CC)SC(C2=C3SC([Sn](C)(C)C)=CC3=C(C4=C2C=C([Sn](C)(C)C)S4)C5=CC(F)=C(CC(CCCC)CC)S5)=C1.FC6=C(C7=CC=C(Br)S7)C8=NN(CC(CCCCCCCC)CCCCCC)N=C8C(C9=CC=C(Br)S9)=C6F
Tpsa: 30.71
Logp: 26.4881
H Acceptors: 9
H Donors: 0
Rotatable Bonds: 32
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇₀H₉₃Br₂F₄N₃S₆Sn₂
Molecular Weight:
1642.12
Synonyms:
None
SMILES:
FC1=C(CC(CCCC)CC)SC(C2=C3SC([Sn](C)(C)C)=CC3=C(C4=C2C=C([Sn](C)(C)C)S4)C5=CC(F)=C(CC(CCCC)CC)S5)=C1.FC6=C(C7=CC=C(Br)S7)C8=NN(CC(CCCCCCCC)CCCCCC)N=C8C(C9=CC=C(Br)S9)=C6F
Tpsa:
30.71
Logp:
26.4881
H Acceptors:
9
H Donors:
0
Rotatable Bonds:
32