CS-0603989
Methyl 1-(cyano(1-methyl-1H-pyrrol-2-yl)methyl)isoquinoline-4-carboxylate
Manufacturer: ChemScene
CAS Number: 439108-16-4
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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
C₁₈H₁₅N₃O₂
Molecular Weight
305.33
Synonyms
None
SMILES
CN1C=CC=C1C(C#N)C2=NC=C(C3=CC=CC=C32)C(=O)OC
Tpsa
67.91
Logp
3.01538
H Acceptors
5
H Donors
0
Rotatable Bonds
3
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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: C₁₈H₁₅N₃O₂
Molecular Weight: 305.33
Synonyms: None
SMILES: CN1C=CC=C1C(C#N)C2=NC=C(C3=CC=CC=C32)C(=O)OC
Tpsa: 67.91
Logp: 3.01538
H Acceptors: 5
H Donors: 0
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:
C₁₈H₁₅N₃O₂
Molecular Weight:
305.33
Synonyms:
None
SMILES:
CN1C=CC=C1C(C#N)C2=NC=C(C3=CC=CC=C32)C(=O)OC
Tpsa:
67.91
Logp:
3.01538
H Acceptors:
5
H Donors:
0
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: C₁₄H₉F₄N₃
Molecular Weight: 295.23
Synonyms: None
SMILES: CC1=NC2=C(C=NN2C(=C1)C(F)(F)F)C3=CC=C(C=C3)F
Tpsa: 30.19
Logp: 3.86262
H Acceptors: 3
H Donors: 0
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:
C₁₄H₉F₄N₃
Molecular Weight:
295.23
Synonyms:
None
SMILES:
CC1=NC2=C(C=NN2C(=C1)C(F)(F)F)C3=CC=C(C=C3)F
Tpsa:
30.19
Logp:
3.86262
H Acceptors:
3
H Donors:
0
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: C₁₄H₆F₇N₃
Molecular Weight: 349.21
Synonyms: None
SMILES: C1=CC(=CC=C1C2=C3N=C(C=C(N3N=C2)C(F)(F)F)C(F)(F)F)F
Tpsa: 30.19
Logp: 4.573
H Acceptors: 3
H Donors: 0
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:
C₁₄H₆F₇N₃
Molecular Weight:
349.21
Synonyms:
None
SMILES:
C1=CC(=CC=C1C2=C3N=C(C=C(N3N=C2)C(F)(F)F)C(F)(F)F)F
Tpsa:
30.19
Logp:
4.573
H Acceptors:
3
H Donors:
0
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: C₁₃H₉F₃N₄S
Molecular Weight: 310.30
Synonyms: None
SMILES: CSC1=NN2C(=CC(=NC2=N1)C(F)(F)F)C3=CC=CC=C3
Tpsa: 43.08
Logp: 3.532
H Acceptors: 5
H Donors: 0
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:
C₁₃H₉F₃N₄S
Molecular Weight:
310.30
Synonyms:
None
SMILES:
CSC1=NN2C(=CC(=NC2=N1)C(F)(F)F)C3=CC=CC=C3
Tpsa:
43.08
Logp:
3.532
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
2