CS-0378849
4-(2-((2S,3R)-3-(2,5-Difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl)thiazol-4-yl)benzonitrile (Isavuconazole Impurity))
Manufacturer: ChemScene
CAS Number: 1176988-44-5
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Purity
97%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₂₂H₁₇F₂N₅OS
Molecular Weight
437.47
Synonyms
Isavuconazole Impurity 24
SMILES
C[C@H](C1=NC(C2=CC=C(C=C2)C#N)=CS1)[C@@](O)(C3=C(C=CC(F)=C3)F)CN4C=NC=N4
Tpsa
N/A
Logp
N/A
H Acceptors
N/A
H Donors
N/A
Rotatable Bonds
N/A
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Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₁₇F₂N₅OS
Molecular Weight: 437.47
Synonyms: Isavuconazole Impurity 24
SMILES: C[C@H](C1=NC(C2=CC=C(C=C2)C#N)=CS1)[C@@](O)(C3=C(C=CC(F)=C3)F)CN4C=NC=N4
Tpsa: N/A
Logp: N/A
H Acceptors: N/A
H Donors: N/A
Rotatable Bonds: N/A
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₁₇F₂N₅OS
Molecular Weight:
437.47
Synonyms:
Isavuconazole Impurity 24
SMILES:
C[C@H](C1=NC(C2=CC=C(C=C2)C#N)=CS1)[C@@](O)(C3=C(C=CC(F)=C3)F)CN4C=NC=N4
Tpsa:
N/A
Logp:
N/A
H Acceptors:
N/A
H Donors:
N/A
Rotatable Bonds:
N/A
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₉H₂₇N₅O₃
Molecular Weight: 373.45
Synonyms: Urapidil Impurity H
SMILES: O=C1N(C)C(C=C(NCCCN2CCN(C3=CC=CC=C3O)CC2)N1C)=O
Tpsa: 82.74
Logp: 0.4138
H Acceptors: 8
H Donors: 2
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₉H₂₇N₅O₃
Molecular Weight:
373.45
Synonyms:
Urapidil Impurity H
SMILES:
O=C1N(C)C(C=C(NCCCN2CCN(C3=CC=CC=C3O)CC2)N1C)=O
Tpsa:
82.74
Logp:
0.4138
H Acceptors:
8
H Donors:
2
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₉H₂₆ClN₅O₂
Molecular Weight: 391.90
Synonyms: 2-Demethoxy-2-chloro Urapidil
SMILES: O=C1N(C)C(C=C(NCCCN2CCN(C3=CC=CC=C3Cl)CC2)N1C)=O
Tpsa: 62.51
Logp: 1.3616
H Acceptors: 7
H Donors: 1
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₉H₂₆ClN₅O₂
Molecular Weight:
391.90
Synonyms:
2-Demethoxy-2-chloro Urapidil
SMILES:
O=C1N(C)C(C=C(NCCCN2CCN(C3=CC=CC=C3Cl)CC2)N1C)=O
Tpsa:
62.51
Logp:
1.3616
H Acceptors:
7
H Donors:
1
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: 4°C, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₁H₁₅N₃O₄
Molecular Weight: 373.36
Synonyms: None
SMILES: O=C(O)C1=CC=CC(N2N=C(C3=CC=CC=C3O)N=C2C4=CC=CC=C4O)=C1
Tpsa: 108.47
Logp: 3.7107
H Acceptors: 6
H Donors: 3
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
4°C, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₁₅N₃O₄
Molecular Weight:
373.36
Synonyms:
None
SMILES:
O=C(O)C1=CC=CC(N2N=C(C3=CC=CC=C3O)N=C2C4=CC=CC=C4O)=C1
Tpsa:
108.47
Logp:
3.7107
H Acceptors:
6
H Donors:
3
Rotatable Bonds:
4