CS-0800151
3-Chloro-2-(5-phenylpent-4-ynyl)isoquinolin-1-one
Manufacturer: ChemScene
CAS Number: 1330074-71-9
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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
C₂₀H₁₆ClNO
Molecular Weight
321.80
Synonyms
None
SMILES
C1=CC=C(C=C1)C#CCCCN2C(=O)C3C(=CC=CC=3)C=C2Cl
Tpsa
22
Logp
4.4868
H Acceptors
2
H Donors
0
Rotatable Bonds
3
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: C₂₀H₁₆ClNO
Molecular Weight: 321.80
Synonyms: None
SMILES: C1=CC=C(C=C1)C#CCCCN2C(=O)C3C(=CC=CC=3)C=C2Cl
Tpsa: 22
Logp: 4.4868
H Acceptors: 2
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:
C₂₀H₁₆ClNO
Molecular Weight:
321.80
Synonyms:
None
SMILES:
C1=CC=C(C=C1)C#CCCCN2C(=O)C3C(=CC=CC=3)C=C2Cl
Tpsa:
22
Logp:
4.4868
H Acceptors:
2
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: C₁₈H₁₇ClN₂O₂
Molecular Weight: 328.79
Synonyms: None
SMILES: NC1=C(C)C=C(OCCN2C(=O)C3C(C=C2)=CC(Cl)=CC=3)C=C1
Tpsa: 57.25
Logp: 3.62452
H Acceptors: 4
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:
C₁₈H₁₇ClN₂O₂
Molecular Weight:
328.79
Synonyms:
None
SMILES:
NC1=C(C)C=C(OCCN2C(=O)C3C(C=C2)=CC(Cl)=CC=3)C=C1
Tpsa:
57.25
Logp:
3.62452
H Acceptors:
4
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: C₁₉H₁₈ClNO₂
Molecular Weight: 327.80
Synonyms: None
SMILES: CCCN1C(=O)C2C(C=C1)=CC(=CC=2Cl)C3=CC=C(OC)C=C3
Tpsa: 31.23
Logp: 4.7405
H Acceptors: 3
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:
C₁₉H₁₈ClNO₂
Molecular Weight:
327.80
Synonyms:
None
SMILES:
CCCN1C(=O)C2C(C=C1)=CC(=CC=2Cl)C3=CC=C(OC)C=C3
Tpsa:
31.23
Logp:
4.7405
H Acceptors:
3
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: C₁₄H₁₇NO₄
Molecular Weight: 263.29
Synonyms: None
SMILES: OCCCN1C(=O)C2C(C=C1)=C(OC)C=C(OC)C=2
Tpsa: 60.69
Logp: 1.4011
H Acceptors: 5
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:
C₁₄H₁₇NO₄
Molecular Weight:
263.29
Synonyms:
None
SMILES:
OCCCN1C(=O)C2C(C=C1)=C(OC)C=C(OC)C=2
Tpsa:
60.69
Logp:
1.4011
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
5