CS-0615931
mono(1-((2R,3R)-3-(4-(4-(tert-butoxy(imino)methyl)phenyl)thiazol-2-yl)-2-(2,5-difluorophenyl)-2-hydroxybutyl)-4-(1-((methyl(3-((2-(methyl-l4-azanyl)acetoxy)methyl)pyridin-2-yl)carbamoyl)oxy)ethyl)-1H-1,2,4-triazol-4-ium) dichloride Isavuconazole BAL20027 Impurity
Manufacturer: ChemScene
CAS Number: None
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Purity
98%
MDL No
None
Storage
4°C, sealed storage, away from moisture and light
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₃₉H₄₆Cl₂F₂N₈O₆S-
Molecular Weight
863.80
Synonyms
None
SMILES
C[NH2]CC(OCC1=CC=CN=C1N(C(OC([N+]2=CN(N=C2)C[C@](C3=CC(F)=CC=C3F)([C@H](C4=NC(C5=CC=C(C=C5)C(OC(C)(C)C)=N)=CS4)C)O)C)=O)C)=O.[Cl-].[Cl-]
Tpsa
168.66
Logp
2.85737
H Acceptors
13
H Donors
3
Rotatable Bonds
14
Other Options
...
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Purity: 98%
MDL No: None
Storage: 4°C, sealed storage, away from moisture and light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₉H₄₆Cl₂F₂N₈O₆S-
Molecular Weight: 863.80
Synonyms: None
SMILES: C[NH2]CC(OCC1=CC=CN=C1N(C(OC([N+]2=CN(N=C2)C[C@](C3=CC(F)=CC=C3F)([C@H](C4=NC(C5=CC=C(C=C5)C(OC(C)(C)C)=N)=CS4)C)O)C)=O)C)=O.[Cl-].[Cl-]
Tpsa: 168.66
Logp: 2.85737
H Acceptors: 13
H Donors: 3
Rotatable Bonds: 14
Purity:
98%
MDL No:
None
Storage:
4°C, sealed storage, away from moisture and light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₉H₄₆Cl₂F₂N₈O₆S-
Molecular Weight:
863.80
Synonyms:
None
SMILES:
C[NH2]CC(OCC1=CC=CN=C1N(C(OC([N+]2=CN(N=C2)C[C@](C3=CC(F)=CC=C3F)([C@H](C4=NC(C5=CC=C(C=C5)C(OC(C)(C)C)=N)=CS4)C)O)C)=O)C)=O.[Cl-].[Cl-]
Tpsa:
168.66
Logp:
2.85737
H Acceptors:
13
H Donors:
3
Rotatable Bonds:
14
Purity: 97%
MDL No: None
Storage: -20°C, sealed storage, away from moisture
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₆F₂LiN₂O₂
Molecular Weight: 183.06
Synonyms: None
SMILES: O=C(C(F)(C1=NC=CN1C)F)O.[Li]
Tpsa: 55.12
Logp: 0.2157
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 2
Purity:
97%
MDL No:
None
Storage:
-20°C, sealed storage, away from moisture
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₆F₂LiN₂O₂
Molecular Weight:
183.06
Synonyms:
None
SMILES:
O=C(C(F)(C1=NC=CN1C)F)O.[Li]
Tpsa:
55.12
Logp:
0.2157
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: 4°C, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₆BrNO₃
Molecular Weight: 302.16
Synonyms: None
SMILES: O=C(OC(C)(C)C)NCC1=CC=C(Br)C=C1O
Tpsa: 58.56
Logp: 3.1794
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
4°C, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₆BrNO₃
Molecular Weight:
302.16
Synonyms:
None
SMILES:
O=C(OC(C)(C)C)NCC1=CC=C(Br)C=C1O
Tpsa:
58.56
Logp:
3.1794
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₁NO₄
Molecular Weight: 221.21
Synonyms: None
SMILES: O=C(C1=CC=C(OC(C)C(N2)=O)C2=C1)OC
Tpsa: 64.63
Logp: 1.1926
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₁NO₄
Molecular Weight:
221.21
Synonyms:
None
SMILES:
O=C(C1=CC=C(OC(C)C(N2)=O)C2=C1)OC
Tpsa:
64.63
Logp:
1.1926
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
1