CS-0531822
1-(2-(2,4-Dichlorophenyl)-2-((4-(phenylsulfonyl)benzyl)oxy)ethyl)-1H-imidazole nitrate Fenticonazole Impurity
Manufacturer: ChemScene
CAS Number: 80676-29-5
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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
C₂₄H₂₁Cl₂N₃O₆S
Molecular Weight
550.41
Synonyms
1-[2-[[4-(Benzenesulfonyl)phenyl]methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole; nitric acid
SMILES
O=S(C1=CC=CC=C1)(C2=CC=C(COC(CN3C=NC=C3)C4=CC=C(C=C4Cl)Cl)C=C2)=O.O[N+]([O-])=O
Tpsa
124.56
Logp
5.6331
H Acceptors
7
H Donors
1
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: C₂₄H₂₁Cl₂N₃O₆S
Molecular Weight: 550.41
Synonyms: 1-[2-[[4-(Benzenesulfonyl)phenyl]methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole; nitric acid
SMILES: O=S(C1=CC=CC=C1)(C2=CC=C(COC(CN3C=NC=C3)C4=CC=C(C=C4Cl)Cl)C=C2)=O.O[N+]([O-])=O
Tpsa: 124.56
Logp: 5.6331
H Acceptors: 7
H Donors: 1
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:
C₂₄H₂₁Cl₂N₃O₆S
Molecular Weight:
550.41
Synonyms:
1-[2-[[4-(Benzenesulfonyl)phenyl]methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole; nitric acid
SMILES:
O=S(C1=CC=CC=C1)(C2=CC=C(COC(CN3C=NC=C3)C4=CC=C(C=C4Cl)Cl)C=C2)=O.O[N+]([O-])=O
Tpsa:
124.56
Logp:
5.6331
H Acceptors:
7
H Donors:
1
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: C₂₆H₂₈ClFN₂
Molecular Weight: 422.97
Synonyms: 1-[(4-Fluorophenyl)(phenyl)methyl]-4-[(2E)-3-phenyl-2-propen-1-yl]piperazine dihydrochloride
SMILES: FC1=CC=C(C(N2CCN(CC2)C/C=C/C3=CC=CC=C3)C4=CC=CC=C4)C=C1.Cl
Tpsa: 6.48
Logp: 5.6679
H Acceptors: 2
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:
C₂₆H₂₈ClFN₂
Molecular Weight:
422.97
Synonyms:
1-[(4-Fluorophenyl)(phenyl)methyl]-4-[(2E)-3-phenyl-2-propen-1-yl]piperazine dihydrochloride
SMILES:
FC1=CC=C(C(N2CCN(CC2)C/C=C/C3=CC=CC=C3)C4=CC=CC=C4)C=C1.Cl
Tpsa:
6.48
Logp:
5.6679
H Acceptors:
2
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: C₂₇H₃₅FO₅
Molecular Weight: 458.56
Synonyms: None
SMILES: C[C@@]12[C@](C[C@H]([C@@H]2C(COC(C(C)(C)C)=O)=O)C)([H])[C@@]3([H])[C@@](C(C1)=O)([H])[C@@]4(C([C@H](C3)F)=CC(C=C4)=O)C
Tpsa: 77.51
Logp: 4.4419
H Acceptors: 5
H Donors: 0
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:
C₂₇H₃₅FO₅
Molecular Weight:
458.56
Synonyms:
None
SMILES:
C[C@@]12[C@](C[C@H]([C@@H]2C(COC(C(C)(C)C)=O)=O)C)([H])[C@@]3([H])[C@@](C(C1)=O)([H])[C@@]4(C([C@H](C3)F)=CC(C=C4)=O)C
Tpsa:
77.51
Logp:
4.4419
H Acceptors:
5
H Donors:
0
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: C₁₂H₁₈N₅O₈P
Molecular Weight: 391.27
Synonyms: 2-Ethoxy-9-(5-O-phosphono-beta-D-arabinofuranosyl)-9H-purin-6-amine
SMILES: O[C@@H]1[C@](O[C@@H]([C@H]1O)COP(O)(O)=O)([H])N2C3=NC(OCC)=NC(N)=C3N=C2
Tpsa: 195.3
Logp: -1.4643
H Acceptors: 11
H Donors: 5
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:
C₁₂H₁₈N₅O₈P
Molecular Weight:
391.27
Synonyms:
2-Ethoxy-9-(5-O-phosphono-beta-D-arabinofuranosyl)-9H-purin-6-amine
SMILES:
O[C@@H]1[C@](O[C@@H]([C@H]1O)COP(O)(O)=O)([H])N2C3=NC(OCC)=NC(N)=C3N=C2
Tpsa:
195.3
Logp:
-1.4643
H Acceptors:
11
H Donors:
5
Rotatable Bonds:
6