CS-1176272
Ethyl (S)-3-(3-bromo-2,6-difluoro-5-methylphenyl)-3-((tert-butoxycarbonyl)amino)propanoate
Manufacturer: ChemScene
CAS Number: 3047839-19-7
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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
C₁₇H₂₂BrF₂NO₄
Molecular Weight
422.26
Synonyms
None
SMILES
O=C(OCC)C[C@H](NC(OC(C)(C)C)=O)C1=C(F)C(C)=CC(Br)=C1F
Tpsa
64.63
Logp
4.55472
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: C₁₇H₂₂BrF₂NO₄
Molecular Weight: 422.26
Synonyms: None
SMILES: O=C(OCC)C[C@H](NC(OC(C)(C)C)=O)C1=C(F)C(C)=CC(Br)=C1F
Tpsa: 64.63
Logp: 4.55472
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:
C₁₇H₂₂BrF₂NO₄
Molecular Weight:
422.26
Synonyms:
None
SMILES:
O=C(OCC)C[C@H](NC(OC(C)(C)C)=O)C1=C(F)C(C)=CC(Br)=C1F
Tpsa:
64.63
Logp:
4.55472
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: 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: C₅H₇BrN₂S
Molecular Weight: 207.09
Synonyms: None
SMILES: CNCC1=NC(Br)=CS1
Tpsa: 24.92
Logp: 1.625
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:
C₅H₇BrN₂S
Molecular Weight:
207.09
Synonyms:
None
SMILES:
CNCC1=NC(Br)=CS1
Tpsa:
24.92
Logp:
1.625
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₁₂ClNO₂S
Molecular Weight: 197.68
Synonyms: None
SMILES: O=S1(CC2CC(C1)NC2)=O.Cl
Tpsa: 46.17
Logp: -0.1853
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 0
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₁₂ClNO₂S
Molecular Weight:
197.68
Synonyms:
None
SMILES:
O=S1(CC2CC(C1)NC2)=O.Cl
Tpsa:
46.17
Logp:
-0.1853
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
0