CS-0100409
tert-Butyl 6-cyano-2-(2-(4-ethyl-3-(4-morpholinopiperidin-1-yl)phenyl)propan-2-yl)-1H-indole-3-carboxylate
Manufacturer: ChemScene
CAS Number: 1256698-41-5
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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
C₃₄H₄₄N₄O₃
Molecular Weight
556.74
Synonyms
Alectinib intermediate N-2
SMILES
O=C(C1=C(C(C)(C2=CC=C(CC)C(N3CCC(N4CCOCC4)CC3)=C2)C)NC5=C1C=CC(C#N)=C5)OC(C)(C)C
Tpsa
81.59
Logp
6.18418
H Acceptors
6
H Donors
1
Rotatable Bonds
6
SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
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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: C₃₄H₄₄N₄O₃
Molecular Weight: 556.74
Synonyms: Alectinib intermediate N-2
SMILES: O=C(C1=C(C(C)(C2=CC=C(CC)C(N3CCC(N4CCOCC4)CC3)=C2)C)NC5=C1C=CC(C#N)=C5)OC(C)(C)C
Tpsa: 81.59
Logp: 6.18418
H Acceptors: 6
H Donors: 1
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:
C₃₄H₄₄N₄O₃
Molecular Weight:
556.74
Synonyms:
Alectinib intermediate N-2
SMILES:
O=C(C1=C(C(C)(C2=CC=C(CC)C(N3CCC(N4CCOCC4)CC3)=C2)C)NC5=C1C=CC(C#N)=C5)OC(C)(C)C
Tpsa:
81.59
Logp:
6.18418
H Acceptors:
6
H Donors:
1
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: C₂₉H₃₆N₄O
Molecular Weight: 456.62
Synonyms: None
SMILES: N#CC1=CC2=C(C=C1)C=C(C(C)(C3=CC=C(CC)C(N4CCC(N5CCOCC5)CC4)=C3)C)N2
Tpsa: 55.29
Logp: 5.22888
H Acceptors: 4
H Donors: 1
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:
C₂₉H₃₆N₄O
Molecular Weight:
456.62
Synonyms:
None
SMILES:
N#CC1=CC2=C(C=C1)C=C(C(C)(C3=CC=C(CC)C(N4CCC(N5CCOCC5)CC4)=C3)C)N2
Tpsa:
55.29
Logp:
5.22888
H Acceptors:
4
H Donors:
1
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: C₂₁H₁₈N₂O
Molecular Weight: 314.38
Synonyms: Alectinib Impurity 7
SMILES: N#CC1=CC2=C(C=C1)C3=C(C(C)(C)C4=CC=C(CC)C=C4C3=O)N2
Tpsa: 56.65
Logp: 4.47228
H Acceptors: 2
H Donors: 1
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:
C₂₁H₁₈N₂O
Molecular Weight:
314.38
Synonyms:
Alectinib Impurity 7
SMILES:
N#CC1=CC2=C(C=C1)C3=C(C(C)(C)C4=CC=C(CC)C=C4C3=O)N2
Tpsa:
56.65
Logp:
4.47228
H Acceptors:
2
H Donors:
1
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: C₃₀H₃₄N₄O₂
Molecular Weight: 482.62
Synonyms: None
SMILES: N#CC1=CC2=C(C=C1)C3=C(C(C)(C)C4=CC=C(CC)C(N5CCC(N6CCOCC6)CC5)=C4C3=O)N2
Tpsa: 72.36
Logp: 4.77328
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:
C₃₀H₃₄N₄O₂
Molecular Weight:
482.62
Synonyms:
None
SMILES:
N#CC1=CC2=C(C=C1)C3=C(C(C)(C)C4=CC=C(CC)C(N5CCC(N6CCOCC6)CC5)=C4C3=O)N2
Tpsa:
72.36
Logp:
4.77328
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
3