CS-1002626
Baloxavir Marboxil Impurity 56
Manufacturer: ChemScene
CAS Number: 2136287-84-6
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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
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
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: 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
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₅H₃₂O₆
Molecular Weight: 548.62
Synonyms: None
SMILES: O=C1C(OCC=2C=CC=CC2)=C(OC3=CC(OCC=4C=CC=CC4)=CC(OCC=C(C)C)=C31)C=5C=CC(OC)=CC5
Tpsa: 67.13
Logp: 7.9716
H Acceptors: 6
H Donors: 0
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₅H₃₂O₆
Molecular Weight:
548.62
Synonyms:
None
SMILES:
O=C1C(OCC=2C=CC=CC2)=C(OC3=CC(OCC=4C=CC=CC4)=CC(OCC=C(C)C)=C31)C=5C=CC(OC)=CC5
Tpsa:
67.13
Logp:
7.9716
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
11
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₈H₄₀N₃O₆-
Molecular Weight: 754.85
Synonyms: None
SMILES: C(C=1C2=C(C=C(C([O-])=O)C1O)C=CC=C2)C=3C4=C(C=C(C([O-])=O)C3O)C=CC=C4.CC=1N(C(C)=CC1/C=C/C2=[N+](C)C3=C(C=C2)C=C(NC)C=C3)C4=CC=CC=C4
Tpsa: 141.56
Logp: 7.00594
H Acceptors: 8
H Donors: 3
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:
C₄₈H₄₀N₃O₆-
Molecular Weight:
754.85
Synonyms:
None
SMILES:
C(C=1C2=C(C=C(C([O-])=O)C1O)C=CC=C2)C=3C4=C(C=C(C([O-])=O)C3O)C=CC=C4.CC=1N(C(C)=CC1/C=C/C2=[N+](C)C3=C(C=C2)C=C(NC)C=C3)C4=CC=CC=C4
Tpsa:
141.56
Logp:
7.00594
H Acceptors:
8
H Donors:
3
Rotatable Bonds:
8