CS-0019121
3-((2S,3R)-2-(4-(Allyloxy)phenyl)-1-(4-fluorophenyl)-4-oxoazetidin-3-yl)propanoic acid compound with dicyclohexylamine
Manufacturer: ChemScene
CAS Number: 1202579-24-5
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Purity
98%
MDL No
None
Storage
4°C, stored under nitrogen
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₃₃H₄₃FN₂O₄
Molecular Weight
550.70
Synonyms
None
SMILES
O=C(O)CC[C@@H]1[C@@H](C2=CC=C(OCC=C)C=C2)N(C3=CC=C(F)C=C3)C1=O.C4(NC5CCCCC5)CCCCC4
Tpsa
78.87
Logp
7.2008
H Acceptors
4
H Donors
2
Rotatable Bonds
10
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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: 4°C, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₃H₄₃FN₂O₄
Molecular Weight: 550.70
Synonyms: None
SMILES: O=C(O)CC[C@@H]1[C@@H](C2=CC=C(OCC=C)C=C2)N(C3=CC=C(F)C=C3)C1=O.C4(NC5CCCCC5)CCCCC4
Tpsa: 78.87
Logp: 7.2008
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
4°C, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₃H₄₃FN₂O₄
Molecular Weight:
550.70
Synonyms:
None
SMILES:
O=C(O)CC[C@@H]1[C@@H](C2=CC=C(OCC=C)C=C2)N(C3=CC=C(F)C=C3)C1=O.C4(NC5CCCCC5)CCCCC4
Tpsa:
78.87
Logp:
7.2008
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
10
Purity: 97%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅H₆N₂O₃
Molecular Weight: 142.11
Synonyms: Acetic acid, cyano(hydroxyimino)-, ethyl ester, (E)-; (E)-Ethyl 2-cyano-2-(hydroxyimino)acetate; Ethyl (E)-2-cyano-2-(hydroxyimino)acetate; Ethyl (hydroxyimino)cyanoacetate; Ethyl cyanoglyoxylate-2-oxime
SMILES: CCOC(/C(C#N)=N/O)=O
Tpsa: 82.68
Logp: -0.09672
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 2
Purity:
97%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅H₆N₂O₃
Molecular Weight:
142.11
Synonyms:
Acetic acid, cyano(hydroxyimino)-, ethyl ester, (E)-; (E)-Ethyl 2-cyano-2-(hydroxyimino)acetate; Ethyl (E)-2-cyano-2-(hydroxyimino)acetate; Ethyl (hydroxyimino)cyanoacetate; Ethyl cyanoglyoxylate-2-oxime
SMILES:
CCOC(/C(C#N)=N/O)=O
Tpsa:
82.68
Logp:
-0.09672
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
2
Purity: 98%
MDL No: MFCD21607185
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₁₄F₂N₂O₄S
Molecular Weight: 356.34
Synonyms: 5-(tert-Butoxycarbonylamino)-2-(2,6-difluorophenyl)thiazole-4-carboxylic acid
SMILES: O=C(O)C1=C(NC(OC(C)(C)C)=O)SC(C2=C(F)C=CC=C2F)=N1
Tpsa: 88.52
Logp: 4.1335
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 3
Purity:
98%
MDL No:
MFCD21607185
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₄F₂N₂O₄S
Molecular Weight:
356.34
Synonyms:
5-(tert-Butoxycarbonylamino)-2-(2,6-difluorophenyl)thiazole-4-carboxylic acid
SMILES:
O=C(O)C1=C(NC(OC(C)(C)C)=O)SC(C2=C(F)C=CC=C2F)=N1
Tpsa:
88.52
Logp:
4.1335
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
3
Purity: 98%
MDL No: MFCD28098642
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₂₁N
Molecular Weight: 215.33
Synonyms: N,N-Di-3-buten-1-ylbenzenemethanamine; Bis(3-butenyl)benzylamine; N-benzyl-N-(but-3-enyl)-but-3-en-1-amine
SMILES: C=CCCN(CC1=CC=CC=C1)CCC=C
Tpsa: 3.24
Logp: 3.6408
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 8
Purity:
98%
MDL No:
MFCD28098642
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₂₁N
Molecular Weight:
215.33
Synonyms:
N,N-Di-3-buten-1-ylbenzenemethanamine; Bis(3-butenyl)benzylamine; N-benzyl-N-(but-3-enyl)-but-3-en-1-amine
SMILES:
C=CCCN(CC1=CC=CC=C1)CCC=C
Tpsa:
3.24
Logp:
3.6408
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
8