CS-1002624
Posaconazole Impurity 245
Manufacturer: ChemScene
CAS Number: 213381-13-6
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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
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: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₉N₃O₄
Molecular Weight: 293.32
Synonyms: None
SMILES: O(CCCC)C1=C2N(N[C@]3(N(C2=O)CCOC3)[H])C=CC1=O
Tpsa: 72.8
Logp: 0.3828
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:
C₁₄H₁₉N₃O₄
Molecular Weight:
293.32
Synonyms:
None
SMILES:
O(CCCC)C1=C2N(N[C@]3(N(C2=O)CCOC3)[H])C=CC1=O
Tpsa:
72.8
Logp:
0.3828
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: C₂₈H₂₇F₂N₃O₄S
Molecular Weight: 539.59
Synonyms: None
SMILES: O(CCCC)C1=C2N(N([C@]3(N(C2=O)CCOC3)[H])[C@H]4C=5C(CSC=6C4=CC=CC6)=C(F)C(F)=CC5)C=CC1=O
Tpsa: 64.01
Logp: 4.4508
H Acceptors: 7
H Donors: 0
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:
C₂₈H₂₇F₂N₃O₄S
Molecular Weight:
539.59
Synonyms:
None
SMILES:
O(CCCC)C1=C2N(N([C@]3(N(C2=O)CCOC3)[H])[C@H]4C=5C(CSC=6C4=CC=CC6)=C(F)C(F)=CC5)C=CC1=O
Tpsa:
64.01
Logp:
4.4508
H Acceptors:
7
H Donors:
0
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: C₃₀H₂₄O₆
Molecular Weight: 480.51
Synonyms: None
SMILES: O=C1C(OCC=2C=CC=CC2)=C(OC=3C=C(OCC=4C=CC=CC4)C=C(O)C31)C=5C=CC(OC)=CC5
Tpsa: 78.13
Logp: 6.3322
H Acceptors: 6
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:
C₃₀H₂₄O₆
Molecular Weight:
480.51
Synonyms:
None
SMILES:
O=C1C(OCC=2C=CC=CC2)=C(OC=3C=C(OCC=4C=CC=CC4)C=C(O)C31)C=5C=CC(OC)=CC5
Tpsa:
78.13
Logp:
6.3322
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
8