CS-0138136
(2R,4R)-Trans-Ketoconazole
Manufacturer: ChemScene
CAS Number: 142128-58-3
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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
C₂₆H₂₈Cl₂N₄O₄
Molecular Weight
531.43
Synonyms
Piperazine, 1-acetyl-4-[4-[[(2R,4R)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]- (9CI)
SMILES
ClC1=C(C=CC(Cl)=C1)[C@](O[C@@H]2COC3=CC=C(N(CC4)CCN4C(C)=O)C=C3)(OC2)CN5C=CN=C5
Tpsa
69.06
Logp
4.2058
H Acceptors
7
H Donors
0
Rotatable Bonds
7
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 142128-58-3 | Piperazine, 1-acetyl-4-[4-[[(2R,4R)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]- | A2B Chem | -- |
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: C₂₆H₂₈Cl₂N₄O₄
Molecular Weight: 531.43
Synonyms: Piperazine, 1-acetyl-4-[4-[[(2R,4R)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]- (9CI)
SMILES: ClC1=C(C=CC(Cl)=C1)[C@](O[C@@H]2COC3=CC=C(N(CC4)CCN4C(C)=O)C=C3)(OC2)CN5C=CN=C5
Tpsa: 69.06
Logp: 4.2058
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:
C₂₆H₂₈Cl₂N₄O₄
Molecular Weight:
531.43
Synonyms:
Piperazine, 1-acetyl-4-[4-[[(2R,4R)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]- (9CI)
SMILES:
ClC1=C(C=CC(Cl)=C1)[C@](O[C@@H]2COC3=CC=C(N(CC4)CCN4C(C)=O)C=C3)(OC2)CN5C=CN=C5
Tpsa:
69.06
Logp:
4.2058
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: C₁₉H₂₅ClN₂O₄
Molecular Weight: 380.87
Synonyms: N-Desmethyl Itopride Hydrochloride
SMILES: O=C(NCC1=CC=C(OCCNC)C=C1)C2=CC=C(OC)C(OC)=C2.[H]Cl
Tpsa: 68.82
Logp: 2.6538
H Acceptors: 5
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:
C₁₉H₂₅ClN₂O₄
Molecular Weight:
380.87
Synonyms:
N-Desmethyl Itopride Hydrochloride
SMILES:
O=C(NCC1=CC=C(OCCNC)C=C1)C2=CC=C(OC)C(OC)=C2.[H]Cl
Tpsa:
68.82
Logp:
2.6538
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
9
Purity: 98%
MDL No: MFCD00053113
Storage: 4°C, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₁₂O₂S
Molecular Weight: 148.22
Synonyms: Acetic Acid 3-(Methylthio)propyl Ester
SMILES: CSCCCOC(C)=O
Tpsa: 26.3
Logp: 1.3026
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 4
Purity:
98%
MDL No:
MFCD00053113
Storage:
4°C, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₁₂O₂S
Molecular Weight:
148.22
Synonyms:
Acetic Acid 3-(Methylthio)propyl Ester
SMILES:
CSCCCOC(C)=O
Tpsa:
26.3
Logp:
1.3026
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
4
Purity: 97%
MDL No: None
Storage: 4°C, sealed storage, away from moisture
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₇H₃₅F₃N₄O₁₁
Molecular Weight: 648.58
Synonyms: None
SMILES: O=C(NCCCOCCOCCOCCCN)COC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O.O=C(O)C(F)(F)F
Tpsa: 212.89
Logp: 0.0048
H Acceptors: 11
H Donors: 4
Rotatable Bonds: 17
Purity:
97%
MDL No:
None
Storage:
4°C, sealed storage, away from moisture
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₇H₃₅F₃N₄O₁₁
Molecular Weight:
648.58
Synonyms:
None
SMILES:
O=C(NCCCOCCOCCOCCCN)COC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O.O=C(O)C(F)(F)F
Tpsa:
212.89
Logp:
0.0048
H Acceptors:
11
H Donors:
4
Rotatable Bonds:
17