CS-0914148
3-(6-bromo-5-fluoropyrimidin-4-yl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
Manufacturer: ChemScene
CAS Number: 1307315-04-3
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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
C₁₆H₁₃BrF₃N₅O
Molecular Weight
428.21
Synonyms
None
SMILES
FC1=CC=C(C(F)=C1)C(O)(CN2N=CN=C2)C(C=3N=CN=C(Br)C3F)C
Tpsa
76.72
Logp
2.9394
H Acceptors
6
H Donors
1
Rotatable Bonds
5
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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: C₁₆H₁₃BrF₃N₅O
Molecular Weight: 428.21
Synonyms: None
SMILES: FC1=CC=C(C(F)=C1)C(O)(CN2N=CN=C2)C(C=3N=CN=C(Br)C3F)C
Tpsa: 76.72
Logp: 2.9394
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₃BrF₃N₅O
Molecular Weight:
428.21
Synonyms:
None
SMILES:
FC1=CC=C(C(F)=C1)C(O)(CN2N=CN=C2)C(C=3N=CN=C(Br)C3F)C
Tpsa:
76.72
Logp:
2.9394
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇₀H₇₆N₄O₁₂
Molecular Weight: 1165.37
Synonyms: None
SMILES: O=CNC1=CC([C@@H](O)CN([C@@H](C)CC2=CC=C(OC)C=C2)CC3=CC=CC=C3)=CC=C1OCC4=CC=CC=C4.O=CNC5=CC([C@@H](O)CN([C@@H](C)CC6=CC=C(OC)C=C6)CC7=CC=CC=C7)=CC=C5OCC8=CC=CC=C8.O=C(O)/C=C/C(O)=O
Tpsa: 145.63
Logp: 5.7211
H Acceptors: 7
H Donors: 4
Rotatable Bonds: 16
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇₀H₇₆N₄O₁₂
Molecular Weight:
1165.37
Synonyms:
None
SMILES:
O=CNC1=CC([C@@H](O)CN([C@@H](C)CC2=CC=C(OC)C=C2)CC3=CC=CC=C3)=CC=C1OCC4=CC=CC=C4.O=CNC5=CC([C@@H](O)CN([C@@H](C)CC6=CC=C(OC)C=C6)CC7=CC=CC=C7)=CC=C5OCC8=CC=CC=C8.O=C(O)/C=C/C(O)=O
Tpsa:
145.63
Logp:
5.7211
H Acceptors:
7
H Donors:
4
Rotatable Bonds:
16
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇₀H₇₆N₄O₁₂
Molecular Weight: 1165.37
Synonyms: None
SMILES: O=CNC1=CC([C@@H](O)CN([C@H](C)CC2=CC=C(OC)C=C2)CC3=CC=CC=C3)=CC=C1OCC4=CC=CC=C4.O=CNC5=CC([C@@H](O)CN([C@H](C)CC6=CC=C(OC)C=C6)CC7=CC=CC=C7)=CC=C5OCC8=CC=CC=C8.O=C(O)/C=C/C(O)=O
Tpsa: 145.63
Logp: 5.7211
H Acceptors: 7
H Donors: 4
Rotatable Bonds: 16
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇₀H₇₆N₄O₁₂
Molecular Weight:
1165.37
Synonyms:
None
SMILES:
O=CNC1=CC([C@@H](O)CN([C@H](C)CC2=CC=C(OC)C=C2)CC3=CC=CC=C3)=CC=C1OCC4=CC=CC=C4.O=CNC5=CC([C@@H](O)CN([C@H](C)CC6=CC=C(OC)C=C6)CC7=CC=CC=C7)=CC=C5OCC8=CC=CC=C8.O=C(O)/C=C/C(O)=O
Tpsa:
145.63
Logp:
5.7211
H Acceptors:
7
H Donors:
4
Rotatable Bonds:
16
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄H₇N₃
Molecular Weight: 97.12
Synonyms: None
SMILES: CC1=NN(C)C=N1
Tpsa: 30.71
Logp: 0.12352
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄H₇N₃
Molecular Weight:
97.12
Synonyms:
None
SMILES:
CC1=NN(C)C=N1
Tpsa:
30.71
Logp:
0.12352
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
0