CS-M1963
tert-Butyl (1S,4R)-6-((4-chloro-5-(trifluoromethyl)pyrimidin-2-yl)amino)-1,2,3,4-tetrahydro-1,4-epiminonaphthalene-9-carboxylate
Manufacturer: ChemScene
CAS Number: 942492-24-2
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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
C₂₀H₂₀ClF₃N₄O₂
Molecular Weight
440.85
Synonyms
Naphthalen-1,4-imine-9-carboxylic acid, 6-[[4-chloro-5-(trifluoromethyl)-2-pyrimidinyl]amino]-1,2,3,4-tetrahydro-, 1,1-dimethyle
SMILES
O=C(N1[C@@]2([H])CC[C@]1([H])C3=C2C=CC(NC4=NC=C(C(F)(F)F)C(Cl)=N4)=C3)OC(C)(C)C
Tpsa
67.35
Logp
6.0191
H Acceptors
5
H Donors
1
Rotatable Bonds
2
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 942492-24-2 | Naphthalen-1,4-imine-9-carboxylic acid, 6-[[4-chloro-5-(trifluoromethyl)-2-pyrimidinyl]amino]-1,2,3,4-tetrahydro-, 1,1-dimethylethyl ester, (1S,4R)- | A2B Chem | -- |
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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: C₂₀H₂₀ClF₃N₄O₂
Molecular Weight: 440.85
Synonyms: Naphthalen-1,4-imine-9-carboxylic acid, 6-[[4-chloro-5-(trifluoromethyl)-2-pyrimidinyl]amino]-1,2,3,4-tetrahydro-, 1,1-dimethyle
SMILES: O=C(N1[C@@]2([H])CC[C@]1([H])C3=C2C=CC(NC4=NC=C(C(F)(F)F)C(Cl)=N4)=C3)OC(C)(C)C
Tpsa: 67.35
Logp: 6.0191
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₂₀ClF₃N₄O₂
Molecular Weight:
440.85
Synonyms:
Naphthalen-1,4-imine-9-carboxylic acid, 6-[[4-chloro-5-(trifluoromethyl)-2-pyrimidinyl]amino]-1,2,3,4-tetrahydro-, 1,1-dimethyle
SMILES:
O=C(N1[C@@]2([H])CC[C@]1([H])C3=C2C=CC(NC4=NC=C(C(F)(F)F)C(Cl)=N4)=C3)OC(C)(C)C
Tpsa:
67.35
Logp:
6.0191
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₁₄Cl₃F₃N₄
Molecular Weight: 413.65
Synonyms: 9-(4-chloro-5-(trifluoromethyl)pyrimidin-2-yl)-1,2,3,4-tetrahydro-1,4-epiminonaphthalen-6-amine dihydrochloride
SMILES: FC(C1=CN=C(NC2=CC3=C([C@]4([H])CC[C@@]3([H])N4)C=C2)N=C1Cl)(F)F.[H]Cl.[H]Cl
Tpsa: 49.84
Logp: 5.2152
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₄Cl₃F₃N₄
Molecular Weight:
413.65
Synonyms:
9-(4-chloro-5-(trifluoromethyl)pyrimidin-2-yl)-1,2,3,4-tetrahydro-1,4-epiminonaphthalen-6-amine dihydrochloride
SMILES:
FC(C1=CN=C(NC2=CC3=C([C@]4([H])CC[C@@]3([H])N4)C=C2)N=C1Cl)(F)F.[H]Cl.[H]Cl
Tpsa:
49.84
Logp:
5.2152
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₃NO₅
Molecular Weight: 263.25
Synonyms: methyl-4-hydroxy-5-methoxy-1-methyl-2-oxo-1,2-dihydroquinoline-3-carboxylate
SMILES: O=C1N(C)C2=CC=CC(OC)=C2C(O)=C1C(OC)=O
Tpsa: 77.76
Logp: 1.0393
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₃NO₅
Molecular Weight:
263.25
Synonyms:
methyl-4-hydroxy-5-methoxy-1-methyl-2-oxo-1,2-dihydroquinoline-3-carboxylate
SMILES:
O=C1N(C)C2=CC=CC(OC)=C2C(O)=C1C(OC)=O
Tpsa:
77.76
Logp:
1.0393
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
2
Purity: 98%
MDL No: MFCD04038879
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₀F₃NO₂
Molecular Weight: 233.19
Synonyms: 4-(Trifluoromethyl)phenylurethane
SMILES: O=C(OCC)NC1=CC=C(C(F)(F)F)C=C1
Tpsa: 38.33
Logp: 3.2738
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
MFCD04038879
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₀F₃NO₂
Molecular Weight:
233.19
Synonyms:
4-(Trifluoromethyl)phenylurethane
SMILES:
O=C(OCC)NC1=CC=C(C(F)(F)F)C=C1
Tpsa:
38.33
Logp:
3.2738
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
2