CS-1003292
Relugolix Impurity 104
Manufacturer: ChemScene
CAS Number: 2642316-10-5
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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
C₃₀H₃₁F₂N₇O₆S
Molecular Weight
655.67
Synonyms
None
SMILES
O=C(OC)N(C=1SC(C=2C=CC(=CC2)NC(=O)NOC)=C(C1C(=O)NC3=NN=C(OC)C=C3)CN(C)C)CC=4C(F)=CC=CC4F
Tpsa
147.25
Logp
5.2617
H Acceptors
10
H Donors
3
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: C₃₀H₃₁F₂N₇O₆S
Molecular Weight: 655.67
Synonyms: None
SMILES: O=C(OC)N(C=1SC(C=2C=CC(=CC2)NC(=O)NOC)=C(C1C(=O)NC3=NN=C(OC)C=C3)CN(C)C)CC=4C(F)=CC=CC4F
Tpsa: 147.25
Logp: 5.2617
H Acceptors: 10
H Donors: 3
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:
C₃₀H₃₁F₂N₇O₆S
Molecular Weight:
655.67
Synonyms:
None
SMILES:
O=C(OC)N(C=1SC(C=2C=CC(=CC2)NC(=O)NOC)=C(C1C(=O)NC3=NN=C(OC)C=C3)CN(C)C)CC=4C(F)=CC=CC4F
Tpsa:
147.25
Logp:
5.2617
H Acceptors:
10
H Donors:
3
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: C₁₈H₂₁NO₄
Molecular Weight: 315.36
Synonyms: None
SMILES: O(C1=CC=CC(=C1OC)CNCCC2=CC=C3OCOC3=C2)C
Tpsa: 48.95
Logp: 2.7648
H Acceptors: 5
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:
C₁₈H₂₁NO₄
Molecular Weight:
315.36
Synonyms:
None
SMILES:
O(C1=CC=CC(=C1OC)CNCCC2=CC=C3OCOC3=C2)C
Tpsa:
48.95
Logp:
2.7648
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
7
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₁₆N₄O₄S₃
Molecular Weight: 436.53
Synonyms: None
SMILES: C(\C(SC1=NC=2C(S1)=CC=CC2)=O)(=N\OC(C(OC)=O)(C)C)/C=3N=C(N)SC3
Tpsa: 116.76
Logp: 3.3262
H Acceptors: 11
H Donors: 1
Rotatable Bonds: 6
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₁₆N₄O₄S₃
Molecular Weight:
436.53
Synonyms:
None
SMILES:
C(\C(SC1=NC=2C(S1)=CC=CC2)=O)(=N\OC(C(OC)=O)(C)C)/C=3N=C(N)SC3
Tpsa:
116.76
Logp:
3.3262
H Acceptors:
11
H Donors:
1
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₆O₄
Molecular Weight: 224.25
Synonyms: None
SMILES: O=C(OC)C1=CC(OC)=C(C(OC)=C1)CC
Tpsa: 44.76
Logp: 2.0528
H Acceptors: 4
H Donors: 0
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:
C₁₂H₁₆O₄
Molecular Weight:
224.25
Synonyms:
None
SMILES:
O=C(OC)C1=CC(OC)=C(C(OC)=C1)CC
Tpsa:
44.76
Logp:
2.0528
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
4