CS-1176266
Ethyl (S)-3-(5-bromo-2-fluoro-3-(trifluoromethyl)phenyl)-3-((tert-butoxycarbonyl)amino)propanoate
Manufacturer: ChemScene
CAS Number: 3047837-23-7
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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
C₁₇H₂₀BrF₄NO₄
Molecular Weight
458.24
Synonyms
None
SMILES
O=C(OCC)C[C@H](NC(OC(C)(C)C)=O)C1=CC(Br)=CC(C(F)(F)F)=C1F
Tpsa
64.63
Logp
5.126
H Acceptors
4
H Donors
1
Rotatable Bonds
5
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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: C₁₇H₂₀BrF₄NO₄
Molecular Weight: 458.24
Synonyms: None
SMILES: O=C(OCC)C[C@H](NC(OC(C)(C)C)=O)C1=CC(Br)=CC(C(F)(F)F)=C1F
Tpsa: 64.63
Logp: 5.126
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:
C₁₇H₂₀BrF₄NO₄
Molecular Weight:
458.24
Synonyms:
None
SMILES:
O=C(OCC)C[C@H](NC(OC(C)(C)C)=O)C1=CC(Br)=CC(C(F)(F)F)=C1F
Tpsa:
64.63
Logp:
5.126
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: C₁₂H₁₄BrF₂NO₂
Molecular Weight: 322.15
Synonyms: None
SMILES: O=C(OCC)C[C@H](N)C1=C(F)C(C)=CC(Br)=C1F
Tpsa: 52.32
Logp: 2.98872
H Acceptors: 3
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:
C₁₂H₁₄BrF₂NO₂
Molecular Weight:
322.15
Synonyms:
None
SMILES:
O=C(OCC)C[C@H](N)C1=C(F)C(C)=CC(Br)=C1F
Tpsa:
52.32
Logp:
2.98872
H Acceptors:
3
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: C₅H₈N₂O₂
Molecular Weight: 128.13
Synonyms: None
SMILES: O=C1O[C@]2([H])CC[C@]2([H])N1N
Tpsa: 55.56
Logp: -0.1567
H Acceptors: 3
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:
C₅H₈N₂O₂
Molecular Weight:
128.13
Synonyms:
None
SMILES:
O=C1O[C@]2([H])CC[C@]2([H])N1N
Tpsa:
55.56
Logp:
-0.1567
H Acceptors:
3
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: C₁₄H₂₀N₂O
Molecular Weight: 232.32
Synonyms: None
SMILES: C[C@@H](CN(CC1=CC=CC=C1)C2)NC32COC3
Tpsa: 24.5
Logp: 1.2493
H Acceptors: 3
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:
C₁₄H₂₀N₂O
Molecular Weight:
232.32
Synonyms:
None
SMILES:
C[C@@H](CN(CC1=CC=CC=C1)C2)NC32COC3
Tpsa:
24.5
Logp:
1.2493
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2