CS-1004999
Itraconazole Impurity 52
Manufacturer: ChemScene
CAS Number: 84499-45-6
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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
C₁₃H₁₃Cl₂N₃O₃
Molecular Weight
330.17
Synonyms
None
SMILES
C([C@]1(O[C@@H](CO)CO1)C2=C(Cl)C=C(Cl)C=C2)N3C=NN=C3
Tpsa
69.4
Logp
1.8456
H Acceptors
6
H Donors
1
Rotatable Bonds
4
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 84499-45-6 | 1,3-Dioxolane-4-methanol,2-(2,4-dichlorophenyl)-2-(4H-1,2,4-triazol-4-ylmethyl)-, (2R,4S)-rel- | 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: C₁₃H₁₃Cl₂N₃O₃
Molecular Weight: 330.17
Synonyms: None
SMILES: C([C@]1(O[C@@H](CO)CO1)C2=C(Cl)C=C(Cl)C=C2)N3C=NN=C3
Tpsa: 69.4
Logp: 1.8456
H Acceptors: 6
H Donors: 1
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:
C₁₃H₁₃Cl₂N₃O₃
Molecular Weight:
330.17
Synonyms:
None
SMILES:
C([C@]1(O[C@@H](CO)CO1)C2=C(Cl)C=C(Cl)C=C2)N3C=NN=C3
Tpsa:
69.4
Logp:
1.8456
H Acceptors:
6
H Donors:
1
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: C₆H₆O₆S
Molecular Weight: 206.17
Synonyms: None
SMILES: O=S(=O)(O)OC=1C(O)=CC=CC1O
Tpsa: 104.06
Logp: 0.2794
H Acceptors: 5
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:
C₆H₆O₆S
Molecular Weight:
206.17
Synonyms:
None
SMILES:
O=S(=O)(O)OC=1C(O)=CC=CC1O
Tpsa:
104.06
Logp:
0.2794
H Acceptors:
5
H Donors:
3
Rotatable Bonds:
2
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₂₂N₄O₂
Molecular Weight: 314.38
Synonyms: None
SMILES: O=C(N)C1=C(N=CC=2C=CC=CC2OCC)C(=NN1C)CCC
Tpsa: 82.5
Logp: 2.6208
H Acceptors: 5
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:
C₁₇H₂₂N₄O₂
Molecular Weight:
314.38
Synonyms:
None
SMILES:
O=C(N)C1=C(N=CC=2C=CC=CC2OCC)C(=NN1C)CCC
Tpsa:
82.5
Logp:
2.6208
H Acceptors:
5
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: C₉H₁₆NO₂+
Molecular Weight: 170.23
Synonyms: None
SMILES: O[C@@H]1[C@@]2([C@@]3([N+](C)(C)[C@]1(CC(O2)(C3)[H])[H])[H])[H]
Tpsa: 29.46
Logp: -0.2643
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₆NO₂+
Molecular Weight:
170.23
Synonyms:
None
SMILES:
O[C@@H]1[C@@]2([C@@]3([N+](C)(C)[C@]1(CC(O2)(C3)[H])[H])[H])[H]
Tpsa:
29.46
Logp:
-0.2643
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
0