CS-1001233
Netupitant Impurity 33
Manufacturer: ChemScene
CAS Number: 1384424-19-4
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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
C₁₀H₆F₆O₂
Molecular Weight
272.14
Synonyms
None
SMILES
O=C(O)CC1=CC=C(C(=C1)C(F)(F)F)C(F)(F)F
Tpsa
37.3
Logp
3.3513
H Acceptors
1
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: C₁₀H₆F₆O₂
Molecular Weight: 272.14
Synonyms: None
SMILES: O=C(O)CC1=CC=C(C(=C1)C(F)(F)F)C(F)(F)F
Tpsa: 37.3
Logp: 3.3513
H Acceptors: 1
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:
C₁₀H₆F₆O₂
Molecular Weight:
272.14
Synonyms:
None
SMILES:
O=C(O)CC1=CC=C(C(=C1)C(F)(F)F)C(F)(F)F
Tpsa:
37.3
Logp:
3.3513
H Acceptors:
1
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: C₁₂H₁₆O₃
Molecular Weight: 208.25
Synonyms: None
SMILES: [C@H]([C@H](C(O)=O)C)(CC)C1=CC(O)=CC=C1
Tpsa: 57.53
Logp: 2.6065
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:
C₁₂H₁₆O₃
Molecular Weight:
208.25
Synonyms:
None
SMILES:
[C@H]([C@H](C(O)=O)C)(CC)C1=CC(O)=CC=C1
Tpsa:
57.53
Logp:
2.6065
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: C₁₈H₁₁ClN₂O
Molecular Weight: 306.75
Synonyms: None
SMILES: O=C1C=CC2=NC=3C=CC=CC3N(C4=CC=C(Cl)C=C4)C2=C1
Tpsa: 34.89
Logp: 4.1439
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₁₁ClN₂O
Molecular Weight:
306.75
Synonyms:
None
SMILES:
O=C1C=CC2=NC=3C=CC=CC3N(C4=CC=C(Cl)C=C4)C2=C1
Tpsa:
34.89
Logp:
4.1439
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₅H₂₈F₃N₃O₅
Molecular Weight: 507.50
Synonyms: None
SMILES: C(CC(O)=O)N1C=2C(=CC(C[C@H](NCCOC3=C(OCC(F)(F)F)C=CC=C3)C)=CC2C(N)=O)C=C1
Tpsa: 115.81
Logp: 3.7556
H Acceptors: 6
H Donors: 3
Rotatable Bonds: 13
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₅H₂₈F₃N₃O₅
Molecular Weight:
507.50
Synonyms:
None
SMILES:
C(CC(O)=O)N1C=2C(=CC(C[C@H](NCCOC3=C(OCC(F)(F)F)C=CC=C3)C)=CC2C(N)=O)C=C1
Tpsa:
115.81
Logp:
3.7556
H Acceptors:
6
H Donors:
3
Rotatable Bonds:
13