CS-0545627
(2E,2'E)-4,4'-(cyclohexane-1,2-diylbis(azanediyl))bis(4-oxobut-2-enoic acid)
Manufacturer: ChemScene
CAS Number: 431980-81-3
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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
C₁₄H₁₈N₂O₆
Molecular Weight
310.30
Synonyms
(E)-4-[(2-{[(E)-4-hydroxy-4-oxo-2-butenoyl]amino}cyclohexyl)amino]-4-oxo-2-butenoic acid
SMILES
O=C(O)/C=C/C(NC1C(NC(/C=C/C(O)=O)=O)CCCC1)=O
Tpsa
132.8
Logp
-0.1884
H Acceptors
4
H Donors
4
Rotatable Bonds
6
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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: C₁₄H₁₈N₂O₆
Molecular Weight: 310.30
Synonyms: (E)-4-[(2-{[(E)-4-hydroxy-4-oxo-2-butenoyl]amino}cyclohexyl)amino]-4-oxo-2-butenoic acid
SMILES: O=C(O)/C=C/C(NC1C(NC(/C=C/C(O)=O)=O)CCCC1)=O
Tpsa: 132.8
Logp: -0.1884
H Acceptors: 4
H Donors: 4
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₈N₂O₆
Molecular Weight:
310.30
Synonyms:
(E)-4-[(2-{[(E)-4-hydroxy-4-oxo-2-butenoyl]amino}cyclohexyl)amino]-4-oxo-2-butenoic acid
SMILES:
O=C(O)/C=C/C(NC1C(NC(/C=C/C(O)=O)=O)CCCC1)=O
Tpsa:
132.8
Logp:
-0.1884
H Acceptors:
4
H Donors:
4
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₁₈N₂O₅S
Molecular Weight: 374.41
Synonyms: {2-[2-(4-Methoxy-benzenesulfonyl)-ethyl]-benzoimidazol-1-yl}-acetic acid
SMILES: COC1=CC=C(C=C1)S(=O)(=O)CCC2=NC3=CC=CC=C3N2CC(=O)O
Tpsa: 98.49
Logp: 2.1459
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₁₈N₂O₅S
Molecular Weight:
374.41
Synonyms:
{2-[2-(4-Methoxy-benzenesulfonyl)-ethyl]-benzoimidazol-1-yl}-acetic acid
SMILES:
COC1=CC=C(C=C1)S(=O)(=O)CCC2=NC3=CC=CC=C3N2CC(=O)O
Tpsa:
98.49
Logp:
2.1459
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₆N₄O
Molecular Weight: 232.28
Synonyms: None
SMILES: CCCNC(=O)C1=C2N=C(C=C(N2N=C1)C)C
Tpsa: 59.29
Logp: 1.48594
H Acceptors: 4
H Donors: 1
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:
C₁₂H₁₆N₄O
Molecular Weight:
232.28
Synonyms:
None
SMILES:
CCCNC(=O)C1=C2N=C(C=C(N2N=C1)C)C
Tpsa:
59.29
Logp:
1.48594
H Acceptors:
4
H Donors:
1
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: C₁₀H₁₂N₂S
Molecular Weight: 192.28
Synonyms: 1H-Benzimidazole,1,5-dimethyl-2-(methylthio)-(9CI)
SMILES: N=1C=2C=C(C=CC2N(C1SC)C)C
Tpsa: 17.82
Logp: 2.60362
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₂N₂S
Molecular Weight:
192.28
Synonyms:
1H-Benzimidazole,1,5-dimethyl-2-(methylthio)-(9CI)
SMILES:
N=1C=2C=C(C=CC2N(C1SC)C)C
Tpsa:
17.82
Logp:
2.60362
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
1