CS-1002827
Posaconazole Impurity 244
Manufacturer: ChemScene
CAS Number: 2243785-85-3
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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
C₄₄H₄₈F₂N₈O₄
Molecular Weight
790.90
Synonyms
None
SMILES
C([C@@]1(C[C@H](COC2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)N5C(=O)N([C@@H]([C@H](OCC6=CC=CC=C6)C)CC)N=C5)CO1)C7=C(F)C=C(F)C=C7)N8C=NC=N8
Tpsa
104.7
Logp
6.7977
H Acceptors
12
H Donors
0
Rotatable Bonds
15
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: C₄₄H₄₈F₂N₈O₄
Molecular Weight: 790.90
Synonyms: None
SMILES: C([C@@]1(C[C@H](COC2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)N5C(=O)N([C@@H]([C@H](OCC6=CC=CC=C6)C)CC)N=C5)CO1)C7=C(F)C=C(F)C=C7)N8C=NC=N8
Tpsa: 104.7
Logp: 6.7977
H Acceptors: 12
H Donors: 0
Rotatable Bonds: 15
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₄H₄₈F₂N₈O₄
Molecular Weight:
790.90
Synonyms:
None
SMILES:
C([C@@]1(C[C@H](COC2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)N5C(=O)N([C@@H]([C@H](OCC6=CC=CC=C6)C)CC)N=C5)CO1)C7=C(F)C=C(F)C=C7)N8C=NC=N8
Tpsa:
104.7
Logp:
6.7977
H Acceptors:
12
H Donors:
0
Rotatable Bonds:
15
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₀H₁₈ClF₂N₃O₄S
Molecular Weight: 469.89
Synonyms: None
SMILES: C([C@@]1(C[C@@H](COS(=O)(=O)C2=CC=C(Cl)C=C2)CO1)C3=C(F)C=C(F)C=C3)N4C=NC=N4
Tpsa: 83.31
Logp: 3.5472
H Acceptors: 7
H Donors: 0
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:
C₂₀H₁₈ClF₂N₃O₄S
Molecular Weight:
469.89
Synonyms:
None
SMILES:
C([C@@]1(C[C@@H](COS(=O)(=O)C2=CC=C(Cl)C=C2)CO1)C3=C(F)C=C(F)C=C3)N4C=NC=N4
Tpsa:
83.31
Logp:
3.5472
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: C₁₉H₁₇N₃O₅
Molecular Weight: 367.36
Synonyms: None
SMILES: O=C(NCC(=O)NO)C=1N=C(C=2C=C(OC=3C=CC=CC3)C=CC2C1O)C
Tpsa: 120.78
Logp: 2.27632
H Acceptors: 6
H Donors: 4
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₉H₁₇N₃O₅
Molecular Weight:
367.36
Synonyms:
None
SMILES:
O=C(NCC(=O)NO)C=1N=C(C=2C=C(OC=3C=CC=CC3)C=CC2C1O)C
Tpsa:
120.78
Logp:
2.27632
H Acceptors:
6
H Donors:
4
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₁₄N₂O₃
Molecular Weight: 294.30
Synonyms: None
SMILES: O=C(N)C=1N=C(C=2C=C(OC=3C=CC=CC3)C=CC2C1O)C
Tpsa: 85.44
Logp: 3.14002
H Acceptors: 4
H Donors: 2
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:
C₁₇H₁₄N₂O₃
Molecular Weight:
294.30
Synonyms:
None
SMILES:
O=C(N)C=1N=C(C=2C=C(OC=3C=CC=CC3)C=CC2C1O)C
Tpsa:
85.44
Logp:
3.14002
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
3