CS-1003378
Elagolix Impurity 111
Manufacturer: ChemScene
CAS Number: 2756307-47-6
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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
C₃₂H₂₈F₅N₃O₄
Molecular Weight
613.57
Synonyms
None
SMILES
O=C1C(=C(C)N(CC2=C(C(F)(F)F)C=CC=C2F)C(=O)N1C[C@@H](N3C(=O)CCC3)C4=CC=CC=C4)C5=C(F)C(OC)=CC=C5
Tpsa
73.54
Logp
5.70302
H Acceptors
6
H Donors
0
Rotatable Bonds
8
Related Products
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: C₃₂H₂₈F₅N₃O₄
Molecular Weight: 613.57
Synonyms: None
SMILES: O=C1C(=C(C)N(CC2=C(C(F)(F)F)C=CC=C2F)C(=O)N1C[C@@H](N3C(=O)CCC3)C4=CC=CC=C4)C5=C(F)C(OC)=CC=C5
Tpsa: 73.54
Logp: 5.70302
H Acceptors: 6
H Donors: 0
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₂H₂₈F₅N₃O₄
Molecular Weight:
613.57
Synonyms:
None
SMILES:
O=C1C(=C(C)N(CC2=C(C(F)(F)F)C=CC=C2F)C(=O)N1C[C@@H](N3C(=O)CCC3)C4=CC=CC=C4)C5=C(F)C(OC)=CC=C5
Tpsa:
73.54
Logp:
5.70302
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
8
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₇H₅₅N₇O₆
Molecular Weight: 693.88
Synonyms: None
SMILES: C([C@H](NC([C@H](NC([C@@H](CC1=CC=CC=C1)NC([C@@H]([C@H](C)C2=CC=CC=C2)N)=O)=O)CC(C)C)=O)CCCCN)(=O)N3CCC(C(O)=O)(N)CC3
Tpsa: 222.97
Logp: 1.3941
H Acceptors: 8
H Donors: 7
Rotatable Bonds: 18
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₇H₅₅N₇O₆
Molecular Weight:
693.88
Synonyms:
None
SMILES:
C([C@H](NC([C@H](NC([C@@H](CC1=CC=CC=C1)NC([C@@H]([C@H](C)C2=CC=CC=C2)N)=O)=O)CC(C)C)=O)CCCCN)(=O)N3CCC(C(O)=O)(N)CC3
Tpsa:
222.97
Logp:
1.3941
H Acceptors:
8
H Donors:
7
Rotatable Bonds:
18
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₀F₂O₂S
Molecular Weight: 280.29
Synonyms: None
SMILES: O=C(O)C1=CC(F)=C(F)C=C1CSC=2C=CC=CC2
Tpsa: 37.3
Logp: 3.9553
H Acceptors: 2
H Donors: 1
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:
C₁₄H₁₀F₂O₂S
Molecular Weight:
280.29
Synonyms:
None
SMILES:
O=C(O)C1=CC(F)=C(F)C=C1CSC=2C=CC=CC2
Tpsa:
37.3
Logp:
3.9553
H Acceptors:
2
H Donors:
1
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: C₁₇H₃₀N₄O₅
Molecular Weight: 370.44
Synonyms: None
SMILES: [C@@H](C(CC)CC)(NC(C)=O)[C@@]1([C@H](OC(C)=O)[C@@H](C(O)=O)C[C@H]1NC(=N)N)[H]
Tpsa: 154.6
Logp: 0.43137
H Acceptors: 5
H Donors: 5
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₃₀N₄O₅
Molecular Weight:
370.44
Synonyms:
None
SMILES:
[C@@H](C(CC)CC)(NC(C)=O)[C@@]1([C@H](OC(C)=O)[C@@H](C(O)=O)C[C@H]1NC(=N)N)[H]
Tpsa:
154.6
Logp:
0.43137
H Acceptors:
5
H Donors:
5
Rotatable Bonds:
8