CS-0799912
Methyl (S)-3-(3-(1-aminoethyl)-8-chloro-1-oxoisoquinolin-2(1H)-yl)benzoate
Manufacturer: ChemScene
CAS Number: 1425045-69-7
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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
C₁₉H₁₇ClN₂O₃
Molecular Weight
356.80
Synonyms
None
SMILES
COC(=O)C1C=C(C=CC=1)N2C(=O)C3C(=CC=CC=3Cl)C=C2[C@H](C)N
Tpsa
74.32
Logp
3.4504
H Acceptors
5
H Donors
1
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: C₁₉H₁₇ClN₂O₃
Molecular Weight: 356.80
Synonyms: None
SMILES: COC(=O)C1C=C(C=CC=1)N2C(=O)C3C(=CC=CC=3Cl)C=C2[C@H](C)N
Tpsa: 74.32
Logp: 3.4504
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:
C₁₉H₁₇ClN₂O₃
Molecular Weight:
356.80
Synonyms:
None
SMILES:
COC(=O)C1C=C(C=CC=1)N2C(=O)C3C(=CC=CC=3Cl)C=C2[C@H](C)N
Tpsa:
74.32
Logp:
3.4504
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: C₁₆H₁₂ClNO
Molecular Weight: 269.73
Synonyms: None
SMILES: ClC1=CC=C(C=C1)C2N(C)C(=O)C3C(=CC=CC=3)C=2
Tpsa: 22
Logp: 3.8589
H Acceptors: 2
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:
C₁₆H₁₂ClNO
Molecular Weight:
269.73
Synonyms:
None
SMILES:
ClC1=CC=C(C=C1)C2N(C)C(=O)C3C(=CC=CC=3)C=2
Tpsa:
22
Logp:
3.8589
H Acceptors:
2
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: C₁₂H₁₃ClN₂O
Molecular Weight: 236.70
Synonyms: None
SMILES: C[C@H](N)C1N(C)C(=O)C2C(=CC=CC=2Cl)C=1
Tpsa: 48.02
Logp: 2.2116
H Acceptors: 3
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:
C₁₂H₁₃ClN₂O
Molecular Weight:
236.70
Synonyms:
None
SMILES:
C[C@H](N)C1N(C)C(=O)C2C(=CC=CC=2Cl)C=1
Tpsa:
48.02
Logp:
2.2116
H Acceptors:
3
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: C₁₄H₁₇ClN₂O
Molecular Weight: 264.75
Synonyms: None
SMILES: C[C@H](N)C1N(C(C)C)C(=O)C2C(=CC=CC=2Cl)C=1
Tpsa: 48.02
Logp: 3.2555
H Acceptors: 3
H Donors: 1
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:
C₁₄H₁₇ClN₂O
Molecular Weight:
264.75
Synonyms:
None
SMILES:
C[C@H](N)C1N(C(C)C)C(=O)C2C(=CC=CC=2Cl)C=1
Tpsa:
48.02
Logp:
3.2555
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2