CS-0010892
N-((3S,4S)-1-Benzyl-4-methylpiperidin-3-yl)-N-methyl-7-tosyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Manufacturer: ChemScene
CAS Number: 2504210-40-4
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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
C₂₇H₃₁N₅O₂S
Molecular Weight
489.63
Synonyms
None
SMILES
CN([C@H]1[C@@H](C)CCN(CC2=CC=CC=C2)C1)C3=NC=NC4=C3C=CN4S(C5=CC=C(C)C=C5)(=O)=O
Tpsa
71.33
Logp
4.32352
H Acceptors
7
H Donors
0
Rotatable Bonds
6
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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: C₂₇H₃₁N₅O₂S
Molecular Weight: 489.63
Synonyms: None
SMILES: CN([C@H]1[C@@H](C)CCN(CC2=CC=CC=C2)C1)C3=NC=NC4=C3C=CN4S(C5=CC=C(C)C=C5)(=O)=O
Tpsa: 71.33
Logp: 4.32352
H Acceptors: 7
H Donors: 0
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₇H₃₁N₅O₂S
Molecular Weight:
489.63
Synonyms:
None
SMILES:
CN([C@H]1[C@@H](C)CCN(CC2=CC=CC=C2)C1)C3=NC=NC4=C3C=CN4S(C5=CC=C(C)C=C5)(=O)=O
Tpsa:
71.33
Logp:
4.32352
H Acceptors:
7
H Donors:
0
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅₄H₆₂N₁₀O₄S₂
Molecular Weight: 979.26
Synonyms: None
SMILES: CN([C@H]1[C@H](C)CCN(CC2=CC=CC=C2)C1)C3=NC=NC4=C3C=CN4S(C5=CC=C(C)C=C5)(=O)=O.CN([C@@H]6[C@@H](C)CCN(CC7=CC=CC=C7)C6)C8=NC=NC9=C8C=CN9S(C%10=CC=C(C)C=C%10)(=O)=O
Tpsa: 142.66
Logp: 8.64704
H Acceptors: 14
H Donors: 0
Rotatable Bonds: 12
Purity:
98%
MDL No:
None
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅₄H₆₂N₁₀O₄S₂
Molecular Weight:
979.26
Synonyms:
None
SMILES:
CN([C@H]1[C@H](C)CCN(CC2=CC=CC=C2)C1)C3=NC=NC4=C3C=CN4S(C5=CC=C(C)C=C5)(=O)=O.CN([C@@H]6[C@@H](C)CCN(CC7=CC=CC=C7)C6)C8=NC=NC9=C8C=CN9S(C%10=CC=C(C)C=C%10)(=O)=O
Tpsa:
142.66
Logp:
8.64704
H Acceptors:
14
H Donors:
0
Rotatable Bonds:
12
Purity: 98%
MDL No: MFCD28134524
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₂₄FN₃O₃
Molecular Weight: 397.44
Synonyms: Carbamic acid,[(1S)-1-(5-fluoro-3,4-dihydro-4-oxo-3-phenyl-2-quinazolinyl)propyl]-,1,1-dimethylethyl ester
SMILES: O=C(OC(C)(C)C)N[C@H](C(N1C2=CC=CC=C2)=NC3=C(C(F)=CC=C3)C1=O)CC
Tpsa: 73.22
Logp: 4.5006
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
MFCD28134524
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₂₄FN₃O₃
Molecular Weight:
397.44
Synonyms:
Carbamic acid,[(1S)-1-(5-fluoro-3,4-dihydro-4-oxo-3-phenyl-2-quinazolinyl)propyl]-,1,1-dimethylethyl ester
SMILES:
O=C(OC(C)(C)C)N[C@H](C(N1C2=CC=CC=C2)=NC3=C(C(F)=CC=C3)C1=O)CC
Tpsa:
73.22
Logp:
4.5006
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
4
Purity: 98%
MDL No: MFCD27955977
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₁₉NO
Molecular Weight: 265.35
Synonyms: None
SMILES: O=C([C@H](C)C1)N[C@@H]1CC(C=C2)=CC=C2C3=CC=CC=C3
Tpsa: 29.1
Logp: 3.4207
H Acceptors: 1
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
MFCD27955977
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₁₉NO
Molecular Weight:
265.35
Synonyms:
None
SMILES:
O=C([C@H](C)C1)N[C@@H]1CC(C=C2)=CC=C2C3=CC=CC=C3
Tpsa:
29.1
Logp:
3.4207
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
3