CS-0615938
mono(1-((2R,3R)-3-(4-(4-cyanophenyl)thiazol-2-yl)-2-(2,5-difluorophenyl)-2-hydroxybutyl)-4-(1-(((3-(5,8-dimethyl-2-(3-((2-(methyl-λ4-azanyl)acetoxy)methyl)pyridin-2-yl)-3,7,10-trioxo-4,6,11-trioxa-2,8-diazadodecan-12-yl)pyridin-2-yl)(methyl)carbamoyl)oxy)ethyl)-1H-1,2,4-triazol-4-ium) dichloride Isavuconazole BAL31265 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
C₄₉H₅₃Cl₂F₂N₁₁O₁₁S-
Molecular Weight
1112.98
Synonyms
None
SMILES
CN(C1=NC=CC=C1COC(CN(C(OC(OC(N(C2=NC=CC=C2COC(C[NH2]C)=O)C)=O)C)=O)C)=O)C(OC(C)[N+]3=CN(N=C3)C[C@](O)(C4=C(C=CC(F)=C4)F)[C@H](C5=NC(C6=CC=C(C=C6)C#N)=CS5)C)=O.[Cl-].[Cl-]
Tpsa
335.07
Logp
4.71478
H Acceptors
22
H Donors
3
Rotatable Bonds
20
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: C₄₉H₅₃Cl₂F₂N₁₁O₁₁S-
Molecular Weight: 1112.98
Synonyms: None
SMILES: CN(C1=NC=CC=C1COC(CN(C(OC(OC(N(C2=NC=CC=C2COC(C[NH2]C)=O)C)=O)C)=O)C)=O)C(OC(C)[N+]3=CN(N=C3)C[C@](O)(C4=C(C=CC(F)=C4)F)[C@H](C5=NC(C6=CC=C(C=C6)C#N)=CS5)C)=O.[Cl-].[Cl-]
Tpsa: 335.07
Logp: 4.71478
H Acceptors: 22
H Donors: 3
Rotatable Bonds: 20
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:
C₄₉H₅₃Cl₂F₂N₁₁O₁₁S-
Molecular Weight:
1112.98
Synonyms:
None
SMILES:
CN(C1=NC=CC=C1COC(CN(C(OC(OC(N(C2=NC=CC=C2COC(C[NH2]C)=O)C)=O)C)=O)C)=O)C(OC(C)[N+]3=CN(N=C3)C[C@](O)(C4=C(C=CC(F)=C4)F)[C@H](C5=NC(C6=CC=C(C=C6)C#N)=CS5)C)=O.[Cl-].[Cl-]
Tpsa:
335.07
Logp:
4.71478
H Acceptors:
22
H Donors:
3
Rotatable Bonds:
20
Purity: 98%
MDL No: None
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₀BrNO₂
Molecular Weight: 256.10
Synonyms: None
SMILES: O=C(C1NCC2=C(C=C(Br)C=C2)C1)O
Tpsa: 49.33
Logp: 1.548
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₀BrNO₂
Molecular Weight:
256.10
Synonyms:
None
SMILES:
O=C(C1NCC2=C(C=C(Br)C=C2)C1)O
Tpsa:
49.33
Logp:
1.548
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
1
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: C₃₇H₄₀Cl₂F₂N₈O₆S
Molecular Weight: 833.73
Synonyms: None
SMILES: CC([N+]1=CN(C[C@@](O)([C@H](C2=NC(C3=CC=C(C#N)C=C3)=CS2)C)C4=CC(F)=CC=C4F)N=C1)OC(C)OC(N(C)C5=NC=CC=C5COC(CNC)=O)=O.[Cl-].Cl
Tpsa: 168.6
Logp: 1.95118
H Acceptors: 13
H Donors: 2
Rotatable Bonds: 15
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:
C₃₇H₄₀Cl₂F₂N₈O₆S
Molecular Weight:
833.73
Synonyms:
None
SMILES:
CC([N+]1=CN(C[C@@](O)([C@H](C2=NC(C3=CC=C(C#N)C=C3)=CS2)C)C4=CC(F)=CC=C4F)N=C1)OC(C)OC(N(C)C5=NC=CC=C5COC(CNC)=O)=O.[Cl-].Cl
Tpsa:
168.6
Logp:
1.95118
H Acceptors:
13
H Donors:
2
Rotatable Bonds:
15
Purity: 98%
MDL No: None
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₈ClNO
Molecular Weight: 181.62
Synonyms: None
SMILES: O=C1CC(N)C2=C1C=CC(Cl)=C2
Tpsa: 43.09
Logp: 1.9262
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₈ClNO
Molecular Weight:
181.62
Synonyms:
None
SMILES:
O=C1CC(N)C2=C1C=CC(Cl)=C2
Tpsa:
43.09
Logp:
1.9262
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
0