CS-1003248
Relugolix Impurity 61
Manufacturer: ChemScene
CAS Number: 2591260-08-9
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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
C₂₇H₂₉F₂N₃O₆S
Molecular Weight
561.60
Synonyms
None
SMILES
O=C(OCC)C1=C(SC(C=2C=CC(=CC2)N(=O)=O)=C1CN(C)C)N(C(=O)OCCC)CC=3C(F)=CC=CC3F
Tpsa
102.22
Logp
6.393
H Acceptors
8
H Donors
0
Rotatable Bonds
11
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: C₂₇H₂₉F₂N₃O₆S
Molecular Weight: 561.60
Synonyms: None
SMILES: O=C(OCC)C1=C(SC(C=2C=CC(=CC2)N(=O)=O)=C1CN(C)C)N(C(=O)OCCC)CC=3C(F)=CC=CC3F
Tpsa: 102.22
Logp: 6.393
H Acceptors: 8
H Donors: 0
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₇H₂₉F₂N₃O₆S
Molecular Weight:
561.60
Synonyms:
None
SMILES:
O=C(OCC)C1=C(SC(C=2C=CC(=CC2)N(=O)=O)=C1CN(C)C)N(C(=O)OCCC)CC=3C(F)=CC=CC3F
Tpsa:
102.22
Logp:
6.393
H Acceptors:
8
H Donors:
0
Rotatable Bonds:
11
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₅H₂₅F₂N₃O₆S
Molecular Weight: 533.54
Synonyms: None
SMILES: O=C(O)C1=C(SC(C=2C=CC(=CC2)N(=O)=O)=C1CN(C)C)N(C(=O)OCCC)CC=3C(F)=CC=CC3F
Tpsa: 113.22
Logp: 5.9145
H Acceptors: 7
H Donors: 1
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₅H₂₅F₂N₃O₆S
Molecular Weight:
533.54
Synonyms:
None
SMILES:
O=C(O)C1=C(SC(C=2C=CC(=CC2)N(=O)=O)=C1CN(C)C)N(C(=O)OCCC)CC=3C(F)=CC=CC3F
Tpsa:
113.22
Logp:
5.9145
H Acceptors:
7
H Donors:
1
Rotatable Bonds:
10
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₆O₆
Molecular Weight: 220.22
Synonyms: None
SMILES: C(OC(C(C)C)=O)[C@@H]1[C@@H](O)[C@@H](O)C(O)O1
Tpsa: 96.22
Logp: -1.3754
H Acceptors: 6
H Donors: 3
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:
C₉H₁₆O₆
Molecular Weight:
220.22
Synonyms:
None
SMILES:
C(OC(C(C)C)=O)[C@@H]1[C@@H](O)[C@@H](O)C(O)O1
Tpsa:
96.22
Logp:
-1.3754
H Acceptors:
6
H Donors:
3
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: C₃₃H₃₃FN₂O₆
Molecular Weight: 572.62
Synonyms: None
SMILES: C(NC1=CC=CC=C1)(=O)C23C(C4(N5C2(C(C)C)O[C@@H](CC(O)=O)CC(O4)(CC5)[H])C6=CC=C(F)C=C6)(O3)C7=CC=CC=C7
Tpsa: 100.63
Logp: 5.0021
H Acceptors: 6
H Donors: 2
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₃H₃₃FN₂O₆
Molecular Weight:
572.62
Synonyms:
None
SMILES:
C(NC1=CC=CC=C1)(=O)C23C(C4(N5C2(C(C)C)O[C@@H](CC(O)=O)CC(O4)(CC5)[H])C6=CC=C(F)C=C6)(O3)C7=CC=CC=C7
Tpsa:
100.63
Logp:
5.0021
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
7