CS-0113968
tert-Butyl 8-(3-(pyrimidin-4-yl)-1-tosyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-1,8-diazaspiro[5.5]undecane-1-carboxylate
Manufacturer: ChemScene
CAS Number: None
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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
C₃₂H₃₈N₆O₄S
Molecular Weight
602.75
Synonyms
None
SMILES
CC(C)(OC(N1CCCCC12CN(CCC2)C3=C4C(N(C=C4C5=NC=NC=C5)S(C6=CC=C(C=C6)C)(=O)=O)=NC=C3)=O)C
Tpsa
110.52
Logp
5.79872
H Acceptors
9
H Donors
0
Rotatable Bonds
4
Other Options
...
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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: C₃₂H₃₈N₆O₄S
Molecular Weight: 602.75
Synonyms: None
SMILES: CC(C)(OC(N1CCCCC12CN(CCC2)C3=C4C(N(C=C4C5=NC=NC=C5)S(C6=CC=C(C=C6)C)(=O)=O)=NC=C3)=O)C
Tpsa: 110.52
Logp: 5.79872
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:
C₃₂H₃₈N₆O₄S
Molecular Weight:
602.75
Synonyms:
None
SMILES:
CC(C)(OC(N1CCCCC12CN(CCC2)C3=C4C(N(C=C4C5=NC=NC=C5)S(C6=CC=C(C=C6)C)(=O)=O)=NC=C3)=O)C
Tpsa:
110.52
Logp:
5.79872
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: C₁₅H₁₂O₅
Molecular Weight: 272.25
Synonyms: None
SMILES: O=C1C2=C(O)C=C(C)C=C2CC3=CC(O)=CC(O)=C3O1
Tpsa: 86.99
Logp: 2.23522
H Acceptors: 5
H Donors: 3
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:
C₁₅H₁₂O₅
Molecular Weight:
272.25
Synonyms:
None
SMILES:
O=C1C2=C(O)C=C(C)C=C2CC3=CC(O)=CC(O)=C3O1
Tpsa:
86.99
Logp:
2.23522
H Acceptors:
5
H Donors:
3
Rotatable Bonds:
0
Purity: 97%
MDL No: MFCD24687575
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₁₁ClO
Molecular Weight: 158.63
Synonyms: None
SMILES: O=CC1=C(Cl)CC(C)(C)C1
Tpsa: 17.07
Logp: 2.4982
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 1
Purity:
97%
MDL No:
MFCD24687575
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₁₁ClO
Molecular Weight:
158.63
Synonyms:
None
SMILES:
O=CC1=C(Cl)CC(C)(C)C1
Tpsa:
17.07
Logp:
2.4982
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
1
Purity: 97%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₄H₃₈O₄
Molecular Weight: 390.56
Synonyms: 12-Ketolithocholic acid
SMILES: C[C@H](CCC(O)=O)[C@H]([C@]12C)CC[C@@]1([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC2=O
Tpsa: 74.6
Logp: 4.6861
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 4
Purity:
97%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₄H₃₈O₄
Molecular Weight:
390.56
Synonyms:
12-Ketolithocholic acid
SMILES:
C[C@H](CCC(O)=O)[C@H]([C@]12C)CC[C@@]1([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC2=O
Tpsa:
74.6
Logp:
4.6861
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
4