CS-0749562
[3-Cyclopropyl-1-(2-fluoro-4-iodophenyl)-6,8-dimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl] trifluoromethanesulfonate
Manufacturer: ChemScene
CAS Number: 871700-07-1
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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
C₁₉H₁₄F₄IN₃O₆S
Molecular Weight
615.29
Synonyms
None
SMILES
CN1C(=O)C(C)=C(OS(=O)(=O)C(F)(F)F)C2=C1N(C(=O)N(C1CC1)C2=O)C1=C(F)C=C(I)C=C1
Tpsa
109.37
Logp
2.46652
H Acceptors
9
H Donors
0
Rotatable Bonds
4
Related Products
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: C₁₉H₁₄F₄IN₃O₆S
Molecular Weight: 615.29
Synonyms: None
SMILES: CN1C(=O)C(C)=C(OS(=O)(=O)C(F)(F)F)C2=C1N(C(=O)N(C1CC1)C2=O)C1=C(F)C=C(I)C=C1
Tpsa: 109.37
Logp: 2.46652
H Acceptors: 9
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:
C₁₉H₁₄F₄IN₃O₆S
Molecular Weight:
615.29
Synonyms:
None
SMILES:
CN1C(=O)C(C)=C(OS(=O)(=O)C(F)(F)F)C2=C1N(C(=O)N(C1CC1)C2=O)C1=C(F)C=C(I)C=C1
Tpsa:
109.37
Logp:
2.46652
H Acceptors:
9
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: C₁₆H₂₁N₃O₅
Molecular Weight: 335.36
Synonyms: None
SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C1=CC(C=O)=C(C=C1)[N+]([O-])=O
Tpsa: 92.99
Logp: 2.4644
H Acceptors: 6
H Donors: 0
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:
C₁₆H₂₁N₃O₅
Molecular Weight:
335.36
Synonyms:
None
SMILES:
CC(C)(C)OC(=O)N1CCN(CC1)C1=CC(C=O)=C(C=C1)[N+]([O-])=O
Tpsa:
92.99
Logp:
2.4644
H Acceptors:
6
H Donors:
0
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: C₁₅H₂₁BrN₂O₄
Molecular Weight: 373.24
Synonyms: None
SMILES: CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C1=CC=C(Br)N=C1
Tpsa: 68.73
Logp: 4.5207
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₂₁BrN₂O₄
Molecular Weight:
373.24
Synonyms:
None
SMILES:
CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C1=CC=C(Br)N=C1
Tpsa:
68.73
Logp:
4.5207
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₈BrNO₂
Molecular Weight: 266.09
Synonyms: None
SMILES: CC1=C(Br)C2=CC=CC=C2C(=C1)[N+]([O-])=O
Tpsa: 43.14
Logp: 3.81892
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₈BrNO₂
Molecular Weight:
266.09
Synonyms:
None
SMILES:
CC1=C(Br)C2=CC=CC=C2C(=C1)[N+]([O-])=O
Tpsa:
43.14
Logp:
3.81892
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
1