CS-0179853
Methyl 4-((tert-butoxycarbonyl)amino)-4-(2,4-difluorophenyl)-3-oxobutanoate
Manufacturer: ChemScene
CAS Number: 2258638-51-4
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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
C₁₆H₁₉F₂NO₅
Molecular Weight
343.32
Synonyms
None
SMILES
O=C(NC(C1=CC=C(C=C1F)F)C(CC(OC)=O)=O)OC(C)(C)C
Tpsa
81.7
Logp
2.6628
H Acceptors
5
H Donors
1
Rotatable Bonds
5
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: C₁₆H₁₉F₂NO₅
Molecular Weight: 343.32
Synonyms: None
SMILES: O=C(NC(C1=CC=C(C=C1F)F)C(CC(OC)=O)=O)OC(C)(C)C
Tpsa: 81.7
Logp: 2.6628
H Acceptors: 5
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:
C₁₆H₁₉F₂NO₅
Molecular Weight:
343.32
Synonyms:
None
SMILES:
O=C(NC(C1=CC=C(C=C1F)F)C(CC(OC)=O)=O)OC(C)(C)C
Tpsa:
81.7
Logp:
2.6628
H Acceptors:
5
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: C₁₇H₁₇F₂NO₅
Molecular Weight: 353.32
Synonyms: 1H-Pyrrole-1,3-dicarboxylic acid, 5-(2,4-difluorophenyl)-4-hydroxy-, 1-(1,1-dimethylethyl) 3-methyl ester
SMILES: O=C(N1C=C(C(OC)=O)C(O)=C1C2=CC=C(F)C=C2F)OC(C)(C)C
Tpsa: 77.76
Logp: 3.7087
H Acceptors: 6
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:
C₁₇H₁₇F₂NO₅
Molecular Weight:
353.32
Synonyms:
1H-Pyrrole-1,3-dicarboxylic acid, 5-(2,4-difluorophenyl)-4-hydroxy-, 1-(1,1-dimethylethyl) 3-methyl ester
SMILES:
O=C(N1C=C(C(OC)=O)C(O)=C1C2=CC=C(F)C=C2F)OC(C)(C)C
Tpsa:
77.76
Logp:
3.7087
H Acceptors:
6
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: C₁₈H₁₉F₂NO₅
Molecular Weight: 367.34
Synonyms: 1H-Pyrrole-1,3-dicarboxylic acid, 5-(2,4-difluorophenyl)-4-methoxy-, 1-(1,1-dimethylethyl) 3-methyl ester
SMILES: O=C(N1C=C(C(OC)=O)C(OC)=C1C2=CC=C(F)C=C2F)OC(C)(C)C
Tpsa: 66.76
Logp: 4.0117
H Acceptors: 6
H Donors: 0
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₁₉F₂NO₅
Molecular Weight:
367.34
Synonyms:
1H-Pyrrole-1,3-dicarboxylic acid, 5-(2,4-difluorophenyl)-4-methoxy-, 1-(1,1-dimethylethyl) 3-methyl ester
SMILES:
O=C(N1C=C(C(OC)=O)C(OC)=C1C2=CC=C(F)C=C2F)OC(C)(C)C
Tpsa:
66.76
Logp:
4.0117
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₉H₃₂N₂O₆
Molecular Weight: 384.47
Synonyms: None
SMILES: O=C(N(CC1)CCC21[C@H](NC(OC(C)(C)C)=O)[C@H](C)OC2=O)OC(C)(C)C
Tpsa: 94.17
Logp: 2.8423
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₉H₃₂N₂O₆
Molecular Weight:
384.47
Synonyms:
None
SMILES:
O=C(N(CC1)CCC21[C@H](NC(OC(C)(C)C)=O)[C@H](C)OC2=O)OC(C)(C)C
Tpsa:
94.17
Logp:
2.8423
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
1