CS-0914031
(E)-3-(4-((1H-imidazol-1-yl)methyl)phenyl)-1-(1H-imidazol-1-yl)prop-2-en-1-one
Manufacturer: ChemScene
CAS Number: 2452215-05-1
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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
C₁₆H₁₄N₄O
Molecular Weight
278.31
Synonyms
None
SMILES
C(/C=C/C1=CC=C(CN2C=CN=C2)C=C1)(=O)N3C=CN=C3
Tpsa
52.71
Logp
2.4815
H Acceptors
5
H Donors
0
Rotatable Bonds
4
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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: C₁₆H₁₄N₄O
Molecular Weight: 278.31
Synonyms: None
SMILES: C(/C=C/C1=CC=C(CN2C=CN=C2)C=C1)(=O)N3C=CN=C3
Tpsa: 52.71
Logp: 2.4815
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₄N₄O
Molecular Weight:
278.31
Synonyms:
None
SMILES:
C(/C=C/C1=CC=C(CN2C=CN=C2)C=C1)(=O)N3C=CN=C3
Tpsa:
52.71
Logp:
2.4815
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₁₇NO₆S₂
Molecular Weight: 371.43
Synonyms: None
SMILES: O=S(=O)(N(C1=CC(OC)=CC=C1OC=2C=CC=CC2)S(=O)(=O)C)C
Tpsa: 89.98
Logp: 2.2131
H Acceptors: 6
H Donors: 0
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:
C₁₅H₁₇NO₆S₂
Molecular Weight:
371.43
Synonyms:
None
SMILES:
O=S(=O)(N(C1=CC(OC)=CC=C1OC=2C=CC=CC2)S(=O)(=O)C)C
Tpsa:
89.98
Logp:
2.2131
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
6
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₉H₄₀O₇
Molecular Weight: 500.62
Synonyms: None
SMILES: C(COC(CCC)=O)(=O)[C@]12[C@]3(C)[C@@](C[C@]1(OC(CCC)O2)[H])([C@]4([C@]([C@@H](O)C3)([C@]5(C)C(CC4)=CC(=O)C=C5)[H])[H])[H]
Tpsa: 99.13
Logp: 4.0678
H Acceptors: 7
H Donors: 1
Rotatable Bonds: 7
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₉H₄₀O₇
Molecular Weight:
500.62
Synonyms:
None
SMILES:
C(COC(CCC)=O)(=O)[C@]12[C@]3(C)[C@@](C[C@]1(OC(CCC)O2)[H])([C@]4([C@]([C@@H](O)C3)([C@]5(C)C(CC4)=CC(=O)C=C5)[H])[H])[H]
Tpsa:
99.13
Logp:
4.0678
H Acceptors:
7
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: C₂₉H₃₈O₇
Molecular Weight: 498.61
Synonyms: None
SMILES: C(COC(CCC)=O)(=O)[C@]12[C@]3(C)[C@@](C[C@]1(OC(CCC)O2)[H])([C@]4([C@](C(=O)C3)([C@]5(C)C(CC4)=CC(=O)C=C5)[H])[H])[H]
Tpsa: 95.97
Logp: 4.276
H Acceptors: 7
H Donors: 0
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:
C₂₉H₃₈O₇
Molecular Weight:
498.61
Synonyms:
None
SMILES:
C(COC(CCC)=O)(=O)[C@]12[C@]3(C)[C@@](C[C@]1(OC(CCC)O2)[H])([C@]4([C@](C(=O)C3)([C@]5(C)C(CC4)=CC(=O)C=C5)[H])[H])[H]
Tpsa:
95.97
Logp:
4.276
H Acceptors:
7
H Donors:
0
Rotatable Bonds:
7