CS-1001218
Topiroxostat Impurity 4
Manufacturer: ChemScene
CAS Number: 1379342-46-7
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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
C₈H₈N₂O₃
Molecular Weight
180.16
Synonyms
None
SMILES
O=C(OC)C=1C=CN=C(C1)C(=O)N
Tpsa
82.28
Logp
-0.0329
H Acceptors
4
H Donors
1
Rotatable Bonds
2
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SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
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: C₈H₈N₂O₃
Molecular Weight: 180.16
Synonyms: None
SMILES: O=C(OC)C=1C=CN=C(C1)C(=O)N
Tpsa: 82.28
Logp: -0.0329
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₈N₂O₃
Molecular Weight:
180.16
Synonyms:
None
SMILES:
O=C(OC)C=1C=CN=C(C1)C(=O)N
Tpsa:
82.28
Logp:
-0.0329
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₅NO
Molecular Weight: 165.23
Synonyms: None
SMILES: [C@@H](CCO)(NC)C1=CC=CC=C1
Tpsa: 32.26
Logp: 1.3295
H Acceptors: 2
H Donors: 2
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:
C₁₀H₁₅NO
Molecular Weight:
165.23
Synonyms:
None
SMILES:
[C@@H](CCO)(NC)C1=CC=CC=C1
Tpsa:
32.26
Logp:
1.3295
H Acceptors:
2
H Donors:
2
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: C₆H₁₁NO₂
Molecular Weight: 129.16
Synonyms: None
SMILES: O=C(O)C(=CC)CCN
Tpsa: 63.32
Logp: 0.3661
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₁₁NO₂
Molecular Weight:
129.16
Synonyms:
None
SMILES:
O=C(O)C(=CC)CCN
Tpsa:
63.32
Logp:
0.3661
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
3
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₄H₃₁BrO₆
Molecular Weight: 495.40
Synonyms: None
SMILES: C[C@@]12[C@]([C@]3([C@@](Br)([C@]4(C)C(CC3)=CC(=O)C=C4)[C@@H](O)C1)[H])(C[C@@H](C)[C@@]2(C(COC(C)=O)=O)O)[H]
Tpsa: 100.9
Logp: 2.8919
H Acceptors: 6
H Donors: 2
Rotatable Bonds: 3
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₄H₃₁BrO₆
Molecular Weight:
495.40
Synonyms:
None
SMILES:
C[C@@]12[C@]([C@]3([C@@](Br)([C@]4(C)C(CC3)=CC(=O)C=C4)[C@@H](O)C1)[H])(C[C@@H](C)[C@@]2(C(COC(C)=O)=O)O)[H]
Tpsa:
100.9
Logp:
2.8919
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
3