CS-1001488
Atogepant Impurity 31
Manufacturer: ChemScene
CAS Number: 1456803-43-2
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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
C₁₇H₂₁F₃N₂O₃
Molecular Weight
358.36
Synonyms
None
SMILES
FC1=C(C(F)=CC=C1F)[C@@H]2C[C@H](NC(OC(C)(C)C)=O)C(=O)N[C@@H]2C
Tpsa
67.43
Logp
2.9892
H Acceptors
3
H Donors
2
Rotatable Bonds
2
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 1456803-43-2 | | A2B Chem | -- |
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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: C₁₇H₂₁F₃N₂O₃
Molecular Weight: 358.36
Synonyms: None
SMILES: FC1=C(C(F)=CC=C1F)[C@@H]2C[C@H](NC(OC(C)(C)C)=O)C(=O)N[C@@H]2C
Tpsa: 67.43
Logp: 2.9892
H Acceptors: 3
H Donors: 2
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:
C₁₇H₂₁F₃N₂O₃
Molecular Weight:
358.36
Synonyms:
None
SMILES:
FC1=C(C(F)=CC=C1F)[C@@H]2C[C@H](NC(OC(C)(C)C)=O)C(=O)N[C@@H]2C
Tpsa:
67.43
Logp:
2.9892
H Acceptors:
3
H Donors:
2
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: C₂₂H₄₄KO₄
Molecular Weight: 411.68
Synonyms: None
SMILES: [C@@H]([C@@H](C[C@H](CCCCCCCCCCC)O)O)(CCCCCC)C(O)=O.[K]
Tpsa: 77.76
Logp: 5.3096
H Acceptors: 3
H Donors: 3
Rotatable Bonds: 19
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₄₄KO₄
Molecular Weight:
411.68
Synonyms:
None
SMILES:
[C@@H]([C@@H](C[C@H](CCCCCCCCCCC)O)O)(CCCCCC)C(O)=O.[K]
Tpsa:
77.76
Logp:
5.3096
H Acceptors:
3
H Donors:
3
Rotatable Bonds:
19
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₁₁Cl₃N₂OS
Molecular Weight: 373.68
Synonyms: None
SMILES: ClC1=CC=CC(OC2=CC3=C(N=C(SC)N3C)C=C2Cl)=C1Cl
Tpsa: 27.05
Logp: 6.0477
H Acceptors: 4
H Donors: 0
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:
C₁₅H₁₁Cl₃N₂OS
Molecular Weight:
373.68
Synonyms:
None
SMILES:
ClC1=CC=CC(OC2=CC3=C(N=C(SC)N3C)C=C2Cl)=C1Cl
Tpsa:
27.05
Logp:
6.0477
H Acceptors:
4
H Donors:
0
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: C₁₅H₁₁Cl₃N₂OS
Molecular Weight: 373.68
Synonyms: None
SMILES: ClC1=CC=CC(OC2=CC=3N=C(SC)N(C3C=C2Cl)C)=C1Cl
Tpsa: 27.05
Logp: 6.0477
H Acceptors: 4
H Donors: 0
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:
C₁₅H₁₁Cl₃N₂OS
Molecular Weight:
373.68
Synonyms:
None
SMILES:
ClC1=CC=CC(OC2=CC=3N=C(SC)N(C3C=C2Cl)C)=C1Cl
Tpsa:
27.05
Logp:
6.0477
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
3