CS-0914121
(S)-3-(2-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: 2756307-50-1
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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
C₂₈H₂₄F₅N₃O₃
Molecular Weight
545.50
Synonyms
None
SMILES
CC1=C(C(=O)N(C[C@@H](N)C2=CC=CC=C2)C(=O)N1CC3=C(C(F)(F)F)C=CC=C3F)C4=C(F)C(OC)=CC=C4
Tpsa
79.25
Logp
5.03932
H Acceptors
6
H Donors
1
Rotatable Bonds
7
Related Products
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: C₂₈H₂₄F₅N₃O₃
Molecular Weight: 545.50
Synonyms: None
SMILES: CC1=C(C(=O)N(C[C@@H](N)C2=CC=CC=C2)C(=O)N1CC3=C(C(F)(F)F)C=CC=C3F)C4=C(F)C(OC)=CC=C4
Tpsa: 79.25
Logp: 5.03932
H Acceptors: 6
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:
C₂₈H₂₄F₅N₃O₃
Molecular Weight:
545.50
Synonyms:
None
SMILES:
CC1=C(C(=O)N(C[C@@H](N)C2=CC=CC=C2)C(=O)N1CC3=C(C(F)(F)F)C=CC=C3F)C4=C(F)C(OC)=CC=C4
Tpsa:
79.25
Logp:
5.03932
H Acceptors:
6
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: C₂₈H₂₁F₅N₂O₄
Molecular Weight: 544.47
Synonyms: None
SMILES: O=C1C(C=2C=CC=C(OC)C2F)=C(N(C(=O)N1CC(=O)C=3C=CC=CC3)CC=4C(F)=CC=CC4C(F)(F)F)C
Tpsa: 70.3
Logp: 5.22222
H Acceptors: 6
H Donors: 0
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:
C₂₈H₂₁F₅N₂O₄
Molecular Weight:
544.47
Synonyms:
None
SMILES:
O=C1C(C=2C=CC=C(OC)C2F)=C(N(C(=O)N1CC(=O)C=3C=CC=CC3)CC=4C(F)=CC=CC4C(F)(F)F)C
Tpsa:
70.3
Logp:
5.22222
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: C₃₂H₃₁F₄N₃O₅
Molecular Weight: 613.60
Synonyms: None
SMILES: CC1=C(C(=O)N(C[C@H](NCCCC(O)=O)C2=CC=CC=C2)C(=O)N1CC3=C(C(F)(F)F)C=CC=C3)C4=C(F)C(OC)=CC=C4
Tpsa: 102.56
Logp: 5.39592
H Acceptors: 7
H Donors: 2
Rotatable Bonds: 12
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₂H₃₁F₄N₃O₅
Molecular Weight:
613.60
Synonyms:
None
SMILES:
CC1=C(C(=O)N(C[C@H](NCCCC(O)=O)C2=CC=CC=C2)C(=O)N1CC3=C(C(F)(F)F)C=CC=C3)C4=C(F)C(OC)=CC=C4
Tpsa:
102.56
Logp:
5.39592
H Acceptors:
7
H Donors:
2
Rotatable Bonds:
12
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₂H₃₀F₅N₃NaO₆
Molecular Weight: 670.58
Synonyms: None
SMILES: CC1=C(C(=O)N(C[C@H](N(CCCC(O)=O)O)C2=CC=CC=C2)C(=O)N1CC3=C(C(F)(F)F)C=CC=C3F)C4=C(F)C(OC)=CC=C4.[Na]
Tpsa: 114
Logp: 5.25582
H Acceptors: 8
H Donors: 2
Rotatable Bonds: 12
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₂H₃₀F₅N₃NaO₆
Molecular Weight:
670.58
Synonyms:
None
SMILES:
CC1=C(C(=O)N(C[C@H](N(CCCC(O)=O)O)C2=CC=CC=C2)C(=O)N1CC3=C(C(F)(F)F)C=CC=C3F)C4=C(F)C(OC)=CC=C4.[Na]
Tpsa:
114
Logp:
5.25582
H Acceptors:
8
H Donors:
2
Rotatable Bonds:
12