CS-1003245
Relugolix Impurity 44
Manufacturer: ChemScene
CAS Number: 2591260-03-4
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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
C₁₈H₂₀N₂O₆S
Molecular Weight
392.43
Synonyms
None
SMILES
O=C(OCCC)NC=1SC(C=2C=CC(=CC2)N(=O)=O)=C(C1C(=O)OCC)C
Tpsa
107.77
Logp
4.76692
H Acceptors
7
H Donors
1
Rotatable Bonds
7
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: C₁₈H₂₀N₂O₆S
Molecular Weight: 392.43
Synonyms: None
SMILES: O=C(OCCC)NC=1SC(C=2C=CC(=CC2)N(=O)=O)=C(C1C(=O)OCC)C
Tpsa: 107.77
Logp: 4.76692
H Acceptors: 7
H Donors: 1
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:
C₁₈H₂₀N₂O₆S
Molecular Weight:
392.43
Synonyms:
None
SMILES:
O=C(OCCC)NC=1SC(C=2C=CC(=CC2)N(=O)=O)=C(C1C(=O)OCC)C
Tpsa:
107.77
Logp:
4.76692
H Acceptors:
7
H Donors:
1
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: C₂₅H₂₄F₂N₂O₆S
Molecular Weight: 518.53
Synonyms: None
SMILES: O=C(OCC)C1=C(SC(C=2C=CC(=CC2)N(=O)=O)=C1C)N(C(=O)OCCC)CC=3C(F)=CC=CC3F
Tpsa: 98.98
Logp: 6.63982
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:
C₂₅H₂₄F₂N₂O₆S
Molecular Weight:
518.53
Synonyms:
None
SMILES:
O=C(OCC)C1=C(SC(C=2C=CC(=CC2)N(=O)=O)=C1C)N(C(=O)OCCC)CC=3C(F)=CC=CC3F
Tpsa:
98.98
Logp:
6.63982
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: C₂₅H₂₃BrF₂N₂O₆S
Molecular Weight: 597.43
Synonyms: None
SMILES: O=C(OCC)C1=C(SC(C=2C=CC(=CC2)N(=O)=O)=C1CBr)N(C(=O)OCCC)CC=3C(F)=CC=CC3F
Tpsa: 98.98
Logp: 7.2263
H Acceptors: 7
H Donors: 0
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:
C₂₅H₂₃BrF₂N₂O₆S
Molecular Weight:
597.43
Synonyms:
None
SMILES:
O=C(OCC)C1=C(SC(C=2C=CC(=CC2)N(=O)=O)=C1CBr)N(C(=O)OCCC)CC=3C(F)=CC=CC3F
Tpsa:
98.98
Logp:
7.2263
H Acceptors:
7
H Donors:
0
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: 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