CS-1001744
Posaconazole Impurity 218
Manufacturer: ChemScene
CAS Number: 159276-59-2
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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
C₉H₇BrF₂
Molecular Weight
233.05
Synonyms
None
SMILES
FC1=CC=C(C(F)=C1)C(=CBr)C
Tpsa
0
Logp
3.7205
H Acceptors
0
H Donors
0
Rotatable Bonds
1
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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: C₉H₇BrF₂
Molecular Weight: 233.05
Synonyms: None
SMILES: FC1=CC=C(C(F)=C1)C(=CBr)C
Tpsa: 0
Logp: 3.7205
H Acceptors: 0
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:
C₉H₇BrF₂
Molecular Weight:
233.05
Synonyms:
None
SMILES:
FC1=CC=C(C(F)=C1)C(=CBr)C
Tpsa:
0
Logp:
3.7205
H Acceptors:
0
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: C₂₄H₃₈O₇
Molecular Weight: 438.55
Synonyms: None
SMILES: O(C([C@H](CCC)C)=O)[C@@H]1[C@]2(C(C=C[C@H](C)[C@@H]2CC[C@H](C[C@H](CC(O)=O)O)O)=C[C@@H](O)C1)[H]
Tpsa: 124.29
Logp: 2.8305
H Acceptors: 6
H Donors: 4
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₄H₃₈O₇
Molecular Weight:
438.55
Synonyms:
None
SMILES:
O(C([C@H](CCC)C)=O)[C@@H]1[C@]2(C(C=C[C@H](C)[C@@H]2CC[C@H](C[C@H](CC(O)=O)O)O)=C[C@@H](O)C1)[H]
Tpsa:
124.29
Logp:
2.8305
H Acceptors:
6
H Donors:
4
Rotatable Bonds:
11
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₂₂N₂O
Molecular Weight: 174.28
Synonyms: None
SMILES: N(CCC[C@@H](C)N)(CCO)CC
Tpsa: 49.49
Logp: 0.428
H Acceptors: 3
H Donors: 2
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:
C₉H₂₂N₂O
Molecular Weight:
174.28
Synonyms:
None
SMILES:
N(CCC[C@@H](C)N)(CCO)CC
Tpsa:
49.49
Logp:
0.428
H Acceptors:
3
H Donors:
2
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: C₂₀H₂₄O₃
Molecular Weight: 312.40
Synonyms: None
SMILES: C[C@]12[C@@]3([C@@](O3)(C(=O)C=C1C(=C)C[C@@]4([C@@]2(CC[C@@]5(C)[C@]4(CCC5=O)[H])[H])[H])[H])[H]
Tpsa: 46.67
Logp: 3.2407
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 0
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₂₄O₃
Molecular Weight:
312.40
Synonyms:
None
SMILES:
C[C@]12[C@@]3([C@@](O3)(C(=O)C=C1C(=C)C[C@@]4([C@@]2(CC[C@@]5(C)[C@]4(CCC5=O)[H])[H])[H])[H])[H]
Tpsa:
46.67
Logp:
3.2407
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
0