CS-1002977
Elagolix Impurity 94
Manufacturer: ChemScene
CAS Number: 2354391-45-8
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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
C₁₃H₁₀F₄N₂O₂
Molecular Weight
302.22
Synonyms
None
SMILES
O=C1C=C(NC(=O)N1CC=2C(F)=CC=CC2C(F)(F)F)C
Tpsa
54.86
Logp
2.05122
H Acceptors
3
H Donors
1
Rotatable Bonds
2
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: C₁₃H₁₀F₄N₂O₂
Molecular Weight: 302.22
Synonyms: None
SMILES: O=C1C=C(NC(=O)N1CC=2C(F)=CC=CC2C(F)(F)F)C
Tpsa: 54.86
Logp: 2.05122
H Acceptors: 3
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:
C₁₃H₁₀F₄N₂O₂
Molecular Weight:
302.22
Synonyms:
None
SMILES:
O=C1C=C(NC(=O)N1CC=2C(F)=CC=CC2C(F)(F)F)C
Tpsa:
54.86
Logp:
2.05122
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2
Purity: 90%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₁₂O₂
Molecular Weight: 224.25
Synonyms: None
SMILES: O=C1C=2C=CC=CC2COC3=CC=C(C=C31)C
Tpsa: 26.3
Logp: 3.11842
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 0
Purity:
90%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₂O₂
Molecular Weight:
224.25
Synonyms:
None
SMILES:
O=C1C=2C=CC=CC2COC3=CC=C(C=C31)C
Tpsa:
26.3
Logp:
3.11842
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₁₇ClN₂
Molecular Weight: 344.84
Synonyms: None
SMILES: ClC1=CC=CC(=C1)C(C=2C=CC=CC2)(C=3C=CC=CC3)N4C=NC=C4
Tpsa: 17.82
Logp: 5.3767
H Acceptors: 2
H Donors: 0
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:
C₂₂H₁₇ClN₂
Molecular Weight:
344.84
Synonyms:
None
SMILES:
ClC1=CC=CC(=C1)C(C=2C=CC=CC2)(C=3C=CC=CC3)N4C=NC=C4
Tpsa:
17.82
Logp:
5.3767
H Acceptors:
2
H Donors:
0
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: C₂₀H₂₃N₃O₃
Molecular Weight: 353.41
Synonyms: None
SMILES: O=C1C=CCCN1C2=CC=C(C=C2)N3C(=O)C(=CCC3)N4CCOCC4
Tpsa: 53.09
Logp: 1.9323
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:
C₂₀H₂₃N₃O₃
Molecular Weight:
353.41
Synonyms:
None
SMILES:
O=C1C=CCCN1C2=CC=C(C=C2)N3C(=O)C(=CCC3)N4CCOCC4
Tpsa:
53.09
Logp:
1.9323
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
3