CS-0472975
Methyl 3-((2-chloro-5-fluoropyrimidin-4-yl)amino)bicyclo[2.2.2]Octane-2-carboxylate
Manufacturer: ChemScene
CAS Number: 2101657-80-9
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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
C₁₄H₁₇ClFN₃O₂
Molecular Weight
313.76
Synonyms
Bicyclo[2.2.2]octane-2-carboxylic acid, 3-[(2-chloro-5-fluoro-4-pyrimidinyl)amino]-, methyl ester
SMILES
COC(=O)C1C(NC2C(F)=CN=C(Cl)N=2)C3CCC1CC3
Tpsa
64.11
Logp
2.6588
H Acceptors
5
H Donors
1
Rotatable Bonds
3
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 2101657-80-9 | Methyl 3-((2-chloro-5-fluoropyrimidin-4-yl)amino)bicyclo[2.2.2]Octane-2-carboxylate | 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: C₁₄H₁₇ClFN₃O₂
Molecular Weight: 313.76
Synonyms: Bicyclo[2.2.2]octane-2-carboxylic acid, 3-[(2-chloro-5-fluoro-4-pyrimidinyl)amino]-, methyl ester
SMILES: COC(=O)C1C(NC2C(F)=CN=C(Cl)N=2)C3CCC1CC3
Tpsa: 64.11
Logp: 2.6588
H Acceptors: 5
H Donors: 1
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:
C₁₄H₁₇ClFN₃O₂
Molecular Weight:
313.76
Synonyms:
Bicyclo[2.2.2]octane-2-carboxylic acid, 3-[(2-chloro-5-fluoro-4-pyrimidinyl)amino]-, methyl ester
SMILES:
COC(=O)C1C(NC2C(F)=CN=C(Cl)N=2)C3CCC1CC3
Tpsa:
64.11
Logp:
2.6588
H Acceptors:
5
H Donors:
1
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: C₁₆H₂₃NO₂
Molecular Weight: 261.36
Synonyms: 3-Pyrrolidinecarboxylic acid, 4-ethyl-1-(phenylmethyl)-, ethyl ester
SMILES: CCOC(=O)C1C(CC)CN(CC2=CC=CC=C2)C1
Tpsa: 29.54
Logp: 2.7077
H Acceptors: 3
H Donors: 0
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:
C₁₆H₂₃NO₂
Molecular Weight:
261.36
Synonyms:
3-Pyrrolidinecarboxylic acid, 4-ethyl-1-(phenylmethyl)-, ethyl ester
SMILES:
CCOC(=O)C1C(CC)CN(CC2=CC=CC=C2)C1
Tpsa:
29.54
Logp:
2.7077
H Acceptors:
3
H Donors:
0
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: C₁₅H₁₉NO₄
Molecular Weight: 277.32
Synonyms: 1,3-Pyrrolidinedicarboxylic acid, 4-ethyl-, 1-(phenylmethyl) ester
SMILES: C1=CC=C(C=C1)COC(=O)N2CC(C(O)=O)C(CC)C2
Tpsa: 66.84
Logp: 2.3658
H Acceptors: 3
H Donors: 1
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:
C₁₅H₁₉NO₄
Molecular Weight:
277.32
Synonyms:
1,3-Pyrrolidinedicarboxylic acid, 4-ethyl-, 1-(phenylmethyl) ester
SMILES:
C1=CC=C(C=C1)COC(=O)N2CC(C(O)=O)C(CC)C2
Tpsa:
66.84
Logp:
2.3658
H Acceptors:
3
H Donors:
1
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: C₁₆H₂₂BrNO₃
Molecular Weight: 356.25
Synonyms: None
SMILES: BrC1=CC=C(C=C1)C2(NC(=O)OC(C)(C)C)CC(O)(C)C2
Tpsa: 58.56
Logp: 3.7139
H Acceptors: 3
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:
C₁₆H₂₂BrNO₃
Molecular Weight:
356.25
Synonyms:
None
SMILES:
BrC1=CC=C(C=C1)C2(NC(=O)OC(C)(C)C)CC(O)(C)C2
Tpsa:
58.56
Logp:
3.7139
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
2