CS-1001075
Ethyl (αE)-α-[[2-butyl-1-[[4-(methoxycarbonyl)phenyl]methyl]-1H-imidazol-5-yl]methylene]-2-thiophenepropanoate
Manufacturer: ChemScene
CAS Number: 133486-13-2
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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
C₂₆H₃₀N₂O₄S
Molecular Weight
466.59
Synonyms
None
SMILES
C(N1C(/C=C(\CC2=CC=CS2)/C(OCC)=O)=CN=C1CCCC)C3=CC=C(C(OC)=O)C=C3
Tpsa
70.42
Logp
5.3113
H Acceptors
7
H Donors
0
Rotatable Bonds
11
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: C₂₆H₃₀N₂O₄S
Molecular Weight: 466.59
Synonyms: None
SMILES: C(N1C(/C=C(\CC2=CC=CS2)/C(OCC)=O)=CN=C1CCCC)C3=CC=C(C(OC)=O)C=C3
Tpsa: 70.42
Logp: 5.3113
H Acceptors: 7
H Donors: 0
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₆H₃₀N₂O₄S
Molecular Weight:
466.59
Synonyms:
None
SMILES:
C(N1C(/C=C(\CC2=CC=CS2)/C(OCC)=O)=CN=C1CCCC)C3=CC=C(C(OC)=O)C=C3
Tpsa:
70.42
Logp:
5.3113
H Acceptors:
7
H Donors:
0
Rotatable Bonds:
11
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₃F₄NO₃
Molecular Weight: 237.11
Synonyms: None
SMILES: O=C(O)C=1C(F)=C(F)C(F)=C(F)C1C(=O)N
Tpsa: 80.39
Logp: 1.0401
H Acceptors: 2
H Donors: 2
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:
C₈H₃F₄NO₃
Molecular Weight:
237.11
Synonyms:
None
SMILES:
O=C(O)C=1C(F)=C(F)C(F)=C(F)C1C(=O)N
Tpsa:
80.39
Logp:
1.0401
H Acceptors:
2
H Donors:
2
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: C₁₂H₁₃FO₃
Molecular Weight: 224.23
Synonyms: None
SMILES: C(OCC)(=O)[C@@H]1OC=2C(CC1)=CC(F)=CC2
Tpsa: 35.53
Logp: 2.0824
H Acceptors: 3
H Donors: 0
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:
C₁₂H₁₃FO₃
Molecular Weight:
224.23
Synonyms:
None
SMILES:
C(OCC)(=O)[C@@H]1OC=2C(CC1)=CC(F)=CC2
Tpsa:
35.53
Logp:
2.0824
H Acceptors:
3
H Donors:
0
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: C₄₀H₄₇NO₁₃
Molecular Weight: 749.80
Synonyms: None
SMILES: O(C(C)=O)[C@]12[C@]3([C@H](OC(=O)C4=CC=CC=C4)[C@@]5(O)C(C)(C)C([C@@H](OC(C)=O)C(=O)[C@]3(C)[C@@H](O)C[C@]1(OC2)[H])=C(C)[C@@H](OC([C@@H]([C@@H](N)C6=CC=CC=C6)O)=O)C5)[H]
Tpsa: 218.21
Logp: 2.2644
H Acceptors: 14
H Donors: 4
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₀H₄₇NO₁₃
Molecular Weight:
749.80
Synonyms:
None
SMILES:
O(C(C)=O)[C@]12[C@]3([C@H](OC(=O)C4=CC=CC=C4)[C@@]5(O)C(C)(C)C([C@@H](OC(C)=O)C(=O)[C@]3(C)[C@@H](O)C[C@]1(OC2)[H])=C(C)[C@@H](OC([C@@H]([C@@H](N)C6=CC=CC=C6)O)=O)C5)[H]
Tpsa:
218.21
Logp:
2.2644
H Acceptors:
14
H Donors:
4
Rotatable Bonds:
8