CS-1001550
Benzoic acid, 4-[[2-butyl-5-(2-carboxyethenyl)-1H-imidazol-1-yl]methyl]-, (E)-
Manufacturer: ChemScene
CAS Number: 148674-34-4
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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
C₁₈H₂₀N₂O₄
Molecular Weight
328.36
Synonyms
None
SMILES
C(N1C(/C=C/C(O)=O)=CN=C1CCCC)C2=CC=C(C(O)=O)C=C2
Tpsa
92.42
Logp
3.07
H Acceptors
4
H Donors
2
Rotatable Bonds
8
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SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
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: C₁₈H₂₀N₂O₄
Molecular Weight: 328.36
Synonyms: None
SMILES: C(N1C(/C=C/C(O)=O)=CN=C1CCCC)C2=CC=C(C(O)=O)C=C2
Tpsa: 92.42
Logp: 3.07
H Acceptors: 4
H Donors: 2
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:
C₁₈H₂₀N₂O₄
Molecular Weight:
328.36
Synonyms:
None
SMILES:
C(N1C(/C=C/C(O)=O)=CN=C1CCCC)C2=CC=C(C(O)=O)C=C2
Tpsa:
92.42
Logp:
3.07
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
8
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₃H₂₄N₂O₄S
Molecular Weight: 424.51
Synonyms: None
SMILES: C(N1C(/C=C(/CC2=CC=CS2)\C(O)=O)=CN=C1CCCC)C3=CC=C(C(O)=O)C=C3
Tpsa: 92.42
Logp: 4.7444
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 10
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₃H₂₄N₂O₄S
Molecular Weight:
424.51
Synonyms:
None
SMILES:
C(N1C(/C=C(/CC2=CC=CS2)\C(O)=O)=CN=C1CCCC)C3=CC=C(C(O)=O)C=C3
Tpsa:
92.42
Logp:
4.7444
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
10
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₅ClFN₃O₃
Molecular Weight: 351.76
Synonyms: None
SMILES: N[C@H]1C2(CN(C1)C=3C(Cl)=C4C(=CC3F)C(=O)C(C(O)=O)=CN4)CC2
Tpsa: 99.42
Logp: 1.9463
H Acceptors: 4
H Donors: 3
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:
C₁₆H₁₅ClFN₃O₃
Molecular Weight:
351.76
Synonyms:
None
SMILES:
N[C@H]1C2(CN(C1)C=3C(Cl)=C4C(=CC3F)C(=O)C(C(O)=O)=CN4)CC2
Tpsa:
99.42
Logp:
1.9463
H Acceptors:
4
H Donors:
3
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: C₂₅H₂₈N₆O₇S₃
Molecular Weight: 620.72
Synonyms: None
SMILES: C(OCOC(C(C)(C)C)=O)(=O)C1N2[C@@]([C@H](NC(/C(=N\OC)/C3=CSC(N)=N3)=O)C2=O)(SC=C1/C=C\C4=C(C)N=CS4)[H]
Tpsa: 175.4
Logp: 2.29652
H Acceptors: 14
H Donors: 2
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₅H₂₈N₆O₇S₃
Molecular Weight:
620.72
Synonyms:
None
SMILES:
C(OCOC(C(C)(C)C)=O)(=O)C1N2[C@@]([C@H](NC(/C(=N\OC)/C3=CSC(N)=N3)=O)C2=O)(SC=C1/C=C\C4=C(C)N=CS4)[H]
Tpsa:
175.4
Logp:
2.29652
H Acceptors:
14
H Donors:
2
Rotatable Bonds:
9