CS-1003543
Relugolix Impurity 52
Manufacturer: ChemScene
CAS Number: 308831-95-0
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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
C₂₄H₂₁BrF₂N₂O₆S
Molecular Weight
583.40
Synonyms
None
SMILES
O=C(OCC)C1=C(SC(C=2C=CC(=CC2)N(=O)=O)=C1CBr)N(C(=O)OCC)CC=3C(F)=CC=CC3F
Tpsa
98.98
Logp
6.8362
H Acceptors
7
H Donors
0
Rotatable Bonds
9
Related Products
SAFETY INFORMATION
Pictograms
Signal Word
Danger
UN Number
1325
Class
4.1
Packing Group
Ⅲ
Hazard Statements
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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: C₂₄H₂₁BrF₂N₂O₆S
Molecular Weight: 583.40
Synonyms: None
SMILES: O=C(OCC)C1=C(SC(C=2C=CC(=CC2)N(=O)=O)=C1CBr)N(C(=O)OCC)CC=3C(F)=CC=CC3F
Tpsa: 98.98
Logp: 6.8362
H Acceptors: 7
H Donors: 0
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₄H₂₁BrF₂N₂O₆S
Molecular Weight:
583.40
Synonyms:
None
SMILES:
O=C(OCC)C1=C(SC(C=2C=CC(=CC2)N(=O)=O)=C1CBr)N(C(=O)OCC)CC=3C(F)=CC=CC3F
Tpsa:
98.98
Logp:
6.8362
H Acceptors:
7
H Donors:
0
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂H₅ClN₂O
Molecular Weight: 108.53
Synonyms: None
SMILES: O=C(NN)CCl
Tpsa: 55.12
Logp: -0.7849
H Acceptors: 2
H Donors: 2
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:
C₂H₅ClN₂O
Molecular Weight:
108.53
Synonyms:
None
SMILES:
O=C(NN)CCl
Tpsa:
55.12
Logp:
-0.7849
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
1
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₂₅N₃O₇
Molecular Weight: 323.34
Synonyms: None
SMILES: O([C@H]1[C@H](O)[C@@H](O)[C@H](N)C[C@@H]1N)[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O
Tpsa: 197.67
Logp: -5.082
H Acceptors: 10
H Donors: 8
Rotatable Bonds: 3
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₂₅N₃O₇
Molecular Weight:
323.34
Synonyms:
None
SMILES:
O([C@H]1[C@H](O)[C@@H](O)[C@H](N)C[C@@H]1N)[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O
Tpsa:
197.67
Logp:
-5.082
H Acceptors:
10
H Donors:
8
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: C₃₁H₃₈O₁₁
Molecular Weight: 586.63
Synonyms: None
SMILES: O(C(C)=O)[C@]12[C@]3([C@H](OC(=O)C4=CC=CC=C4)[C@@]5(O)C(C)(C)C([C@@H](OC(C)=O)C(=O)[C@]3(C)[C@H](O)C[C@]1(OC2)[H])=C(C)[C@@H](O)C5)[H]
Tpsa: 165.89
Logp: 1.6526
H Acceptors: 11
H Donors: 3
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:
C₃₁H₃₈O₁₁
Molecular Weight:
586.63
Synonyms:
None
SMILES:
O(C(C)=O)[C@]12[C@]3([C@H](OC(=O)C4=CC=CC=C4)[C@@]5(O)C(C)(C)C([C@@H](OC(C)=O)C(=O)[C@]3(C)[C@H](O)C[C@]1(OC2)[H])=C(C)[C@@H](O)C5)[H]
Tpsa:
165.89
Logp:
1.6526
H Acceptors:
11
H Donors:
3
Rotatable Bonds:
4