CS-0100076
Benzyl (4-(benzyloxy)-1-methyl-7-phenoxyisoquinoline-3-carbonyl)glycinate
Manufacturer: ChemScene
CAS Number: 808118-43-6
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Purity
98%
MDL No
MFCD34179627
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₃₃H₂₈N₂O₅
Molecular Weight
532.59
Synonyms
None
SMILES
O=C(OCC1=CC=CC=C1)CNC(C2=C(OCC3=CC=CC=C3)C4=C(C(C)=N2)C=C(OC5=CC=CC=C5)C=C4)=O
Tpsa
86.75
Logp
6.38772
H Acceptors
6
H Donors
1
Rotatable Bonds
10
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: MFCD34179627
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₃H₂₈N₂O₅
Molecular Weight: 532.59
Synonyms: None
SMILES: O=C(OCC1=CC=CC=C1)CNC(C2=C(OCC3=CC=CC=C3)C4=C(C(C)=N2)C=C(OC5=CC=CC=C5)C=C4)=O
Tpsa: 86.75
Logp: 6.38772
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 10
Purity:
98%
MDL No:
MFCD34179627
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₃H₂₈N₂O₅
Molecular Weight:
532.59
Synonyms:
None
SMILES:
O=C(OCC1=CC=CC=C1)CNC(C2=C(OCC3=CC=CC=C3)C4=C(C(C)=N2)C=C(OC5=CC=CC=C5)C=C4)=O
Tpsa:
86.75
Logp:
6.38772
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
10
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₉BO₅S
Molecular Weight: 228.03
Synonyms: None
SMILES: OB(C1=CC=C2C(C(O)CS2(=O)=O)=C1)O
Tpsa: 94.83
Logp: -1.8129
H Acceptors: 5
H Donors: 3
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:
C₈H₉BO₅S
Molecular Weight:
228.03
Synonyms:
None
SMILES:
OB(C1=CC=C2C(C(O)CS2(=O)=O)=C1)O
Tpsa:
94.83
Logp:
-1.8129
H Acceptors:
5
H Donors:
3
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: C₈H₇BrO₃S
Molecular Weight: 263.11
Synonyms: None
SMILES: OC(C1)C2=CC=C(Br)C=C2S1(=O)=O
Tpsa: 54.37
Logp: 1.2698
H Acceptors: 3
H Donors: 1
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:
C₈H₇BrO₃S
Molecular Weight:
263.11
Synonyms:
None
SMILES:
OC(C1)C2=CC=C(Br)C=C2S1(=O)=O
Tpsa:
54.37
Logp:
1.2698
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
0
Purity: 97%
MDL No: MFCD27997533
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₁₇N₃OSi
Molecular Weight: 199.33
Synonyms: 1-((2-(Trimethylsilyl)Ethoxy)Methyl)-1H-1,2,4-Triazole(WX690260)
SMILES: C[Si](CCOCN1N=CN=C1)(C)C
Tpsa: 39.94
Logp: 1.5904
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 5
Purity:
97%
MDL No:
MFCD27997533
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₁₇N₃OSi
Molecular Weight:
199.33
Synonyms:
1-((2-(Trimethylsilyl)Ethoxy)Methyl)-1H-1,2,4-Triazole(WX690260)
SMILES:
C[Si](CCOCN1N=CN=C1)(C)C
Tpsa:
39.94
Logp:
1.5904
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
5