CS-0915145
Elagolix Impurity 36
Manufacturer: ChemScene
CAS Number: 2387904-57-4
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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
C₁₃H₉ClF₄N₂O₂
Molecular Weight
336.67
Synonyms
None
SMILES
O=C1NC(=O)N(C(=C1Cl)C)CC=2C(F)=CC=CC2C(F)(F)F
Tpsa
54.86
Logp
2.70462
H Acceptors
3
H Donors
1
Rotatable Bonds
2
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: C₁₃H₉ClF₄N₂O₂
Molecular Weight: 336.67
Synonyms: None
SMILES: O=C1NC(=O)N(C(=C1Cl)C)CC=2C(F)=CC=CC2C(F)(F)F
Tpsa: 54.86
Logp: 2.70462
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:
C₁₃H₉ClF₄N₂O₂
Molecular Weight:
336.67
Synonyms:
None
SMILES:
O=C1NC(=O)N(C(=C1Cl)C)CC=2C(F)=CC=CC2C(F)(F)F
Tpsa:
54.86
Logp:
2.70462
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: C₂₅H₂₁ClN₄O₄
Molecular Weight: 476.91
Synonyms: None
SMILES: O=C(O)C=1C=CC=C(C1)C2=CC(Cl)=CC(NN=C3C(=O)N(N=C3C)C4=CC=C(C(=C4)C)C)=C2O
Tpsa: 114.59
Logp: 5.21824
H Acceptors: 6
H Donors: 3
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:
C₂₅H₂₁ClN₄O₄
Molecular Weight:
476.91
Synonyms:
None
SMILES:
O=C(O)C=1C=CC=C(C1)C2=CC(Cl)=CC(NN=C3C(=O)N(N=C3C)C4=CC=C(C(=C4)C)C)=C2O
Tpsa:
114.59
Logp:
5.21824
H Acceptors:
6
H Donors:
3
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: C₁₉H₁₉ClF₆N₂O
Molecular Weight: 440.81
Synonyms: None
SMILES: [C@H](O)(C=1C=C(N=C(C(F)(F)F)C1)C2=CC=C(C(F)(F)F)C=C2)[C@@]3(CCCCN3)[H].Cl
Tpsa: 45.15
Logp: 5.3835
H Acceptors: 3
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:
C₁₉H₁₉ClF₆N₂O
Molecular Weight:
440.81
Synonyms:
None
SMILES:
[C@H](O)(C=1C=C(N=C(C(F)(F)F)C1)C2=CC=C(C(F)(F)F)C=C2)[C@@]3(CCCCN3)[H].Cl
Tpsa:
45.15
Logp:
5.3835
H Acceptors:
3
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: C₁₉H₁₈F₆N₂O
Molecular Weight: 404.35
Synonyms: None
SMILES: [C@H](O)(C=1C=C(N=C(C(F)(F)F)C1)C2=CC=C(C(F)(F)F)C=C2)[C@]3(CCCCN3)[H]
Tpsa: 45.15
Logp: 4.9617
H Acceptors: 3
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:
C₁₉H₁₈F₆N₂O
Molecular Weight:
404.35
Synonyms:
None
SMILES:
[C@H](O)(C=1C=C(N=C(C(F)(F)F)C1)C2=CC=C(C(F)(F)F)C=C2)[C@]3(CCCCN3)[H]
Tpsa:
45.15
Logp:
4.9617
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
3