CS-0513092
(1S,2S,4S,5R)-1-benzyl-2-((R)-(benzyloxy)(quinolin-4-yl)methyl)-5-vinylquinuclidin-1-ium bromide
Manufacturer: ChemScene
CAS Number: 158195-39-2
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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
C₃₃H₃₅BrN₂O
Molecular Weight
555.55
Synonyms
None
SMILES
C=C[C@@H](C[N@+]1(CC2=CC=CC=C2)CC3)[C@@H]3C[C@H]1[C@H](OCC4=CC=CC=C4)C5=CC=NC6=CC=CC=C56.[Br-]
Tpsa
22.12
Logp
4.1081
H Acceptors
2
H Donors
0
Rotatable Bonds
8
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 158195-39-2 | (1S,2S,4S,5R)-1-benzyl-2-((R)-(benzyloxy)(quinolin-4-yl)methyl)-5-vinylquinuclidin-1-ium bromide | A2B Chem | -- |
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: C₃₃H₃₅BrN₂O
Molecular Weight: 555.55
Synonyms: None
SMILES: C=C[C@@H](C[N@+]1(CC2=CC=CC=C2)CC3)[C@@H]3C[C@H]1[C@H](OCC4=CC=CC=C4)C5=CC=NC6=CC=CC=C56.[Br-]
Tpsa: 22.12
Logp: 4.1081
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₃H₃₅BrN₂O
Molecular Weight:
555.55
Synonyms:
None
SMILES:
C=C[C@@H](C[N@+]1(CC2=CC=CC=C2)CC3)[C@@H]3C[C@H]1[C@H](OCC4=CC=CC=C4)C5=CC=NC6=CC=CC=C56.[Br-]
Tpsa:
22.12
Logp:
4.1081
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
8
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₀H₂₂O₇
Molecular Weight: 374.38
Synonyms: None
SMILES: O[C@H]([C@H]([C@@H]([C@@H](CO1)O2)OC1C3=CC=CC=C3)O)[C@@H]2OC4=CC=C(OC)C=C4
Tpsa: 86.61
Logp: 1.6349
H Acceptors: 7
H Donors: 2
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:
C₂₀H₂₂O₇
Molecular Weight:
374.38
Synonyms:
None
SMILES:
O[C@H]([C@H]([C@@H]([C@@H](CO1)O2)OC1C3=CC=CC=C3)O)[C@@H]2OC4=CC=C(OC)C=C4
Tpsa:
86.61
Logp:
1.6349
H Acceptors:
7
H Donors:
2
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: C₆H₄F₂IN
Molecular Weight: 255.00
Synonyms: None
SMILES: NC1=C(F)C=CC(F)=C1I
Tpsa: 26.02
Logp: 2.1516
H Acceptors: 1
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:
C₆H₄F₂IN
Molecular Weight:
255.00
Synonyms:
None
SMILES:
NC1=C(F)C=CC(F)=C1I
Tpsa:
26.02
Logp:
2.1516
H Acceptors:
1
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: C₁₀H₁₁F₃N₂O₂
Molecular Weight: 248.20
Synonyms: CID 24702590
SMILES: CC(N)C(NC1=CC=CC=C1OC(F)(F)F)=O
Tpsa: 64.35
Logp: 1.8709
H Acceptors: 3
H Donors: 2
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:
C₁₀H₁₁F₃N₂O₂
Molecular Weight:
248.20
Synonyms:
CID 24702590
SMILES:
CC(N)C(NC1=CC=CC=C1OC(F)(F)F)=O
Tpsa:
64.35
Logp:
1.8709
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
3