CS-0914125
3-((R)-2-(((R)-2-amino-2-phenylethyl)amino)-2-phenylethyl)-5-(2-fluoro-3-methoxyphenyl)-1-(2-fluoro-6-(trifluoromethyl)benzyl)-6-methylpyrimidine-2,4(1H,3H)-dione
Manufacturer: ChemScene
CAS Number: 2490673-33-9
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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
C₃₆H₃₃F₅N₄O₃
Molecular Weight
664.66
Synonyms
None
SMILES
CC1=C(C(=O)N(C[C@H](NC[C@H](N)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)N1CC4=C(C(F)(F)F)C=CC=C4F)C5=C(F)C(OC)=CC=C5
Tpsa
91.28
Logp
6.37022
H Acceptors
7
H Donors
2
Rotatable Bonds
11
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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: C₃₆H₃₃F₅N₄O₃
Molecular Weight: 664.66
Synonyms: None
SMILES: CC1=C(C(=O)N(C[C@H](NC[C@H](N)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)N1CC4=C(C(F)(F)F)C=CC=C4F)C5=C(F)C(OC)=CC=C5
Tpsa: 91.28
Logp: 6.37022
H Acceptors: 7
H Donors: 2
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:
C₃₆H₃₃F₅N₄O₃
Molecular Weight:
664.66
Synonyms:
None
SMILES:
CC1=C(C(=O)N(C[C@H](NC[C@H](N)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)N1CC4=C(C(F)(F)F)C=CC=C4F)C5=C(F)C(OC)=CC=C5
Tpsa:
91.28
Logp:
6.37022
H Acceptors:
7
H Donors:
2
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: C₃₀H₂₆F₅N₃O₄
Molecular Weight: 587.54
Synonyms: None
SMILES: CC1=C(C(=O)N(C[C@H](NC(C)=O)C2=CC=CC=C2)C(=O)N1CC3=C(C(F)(F)F)C=CC=C3F)C4=C(F)C(OC)=CC=C4
Tpsa: 82.33
Logp: 5.21672
H Acceptors: 6
H Donors: 1
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:
C₃₀H₂₆F₅N₃O₄
Molecular Weight:
587.54
Synonyms:
None
SMILES:
CC1=C(C(=O)N(C[C@H](NC(C)=O)C2=CC=CC=C2)C(=O)N1CC3=C(C(F)(F)F)C=CC=C3F)C4=C(F)C(OC)=CC=C4
Tpsa:
82.33
Logp:
5.21672
H Acceptors:
6
H Donors:
1
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: C₂₁H₁₈F₄N₄O₃
Molecular Weight: 450.39
Synonyms: None
SMILES: N#CC1=CC=C(C=C1C(F)(F)F)N2C(=O)C(N(C3=CC=C(C(=O)NC)C(F)=C3)C2O)(C)C
Tpsa: 96.67
Logp: 2.98348
H Acceptors: 5
H Donors: 2
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:
C₂₁H₁₈F₄N₄O₃
Molecular Weight:
450.39
Synonyms:
None
SMILES:
N#CC1=CC=C(C=C1C(F)(F)F)N2C(=O)C(N(C3=CC=C(C(=O)NC)C(F)=C3)C2O)(C)C
Tpsa:
96.67
Logp:
2.98348
H Acceptors:
5
H Donors:
2
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: C₁₈H₂₁NO₄S
Molecular Weight: 347.43
Synonyms: None
SMILES: O=CC=1C=C(C=CC1OC(C)CC)C2=NC(=C(S2)C(=O)OCC)C
Tpsa: 65.49
Logp: 4.28502
H Acceptors: 6
H Donors: 0
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:
C₁₈H₂₁NO₄S
Molecular Weight:
347.43
Synonyms:
None
SMILES:
O=CC=1C=C(C=CC1OC(C)CC)C2=NC(=C(S2)C(=O)OCC)C
Tpsa:
65.49
Logp:
4.28502
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
7