CS-0515299
(1S,2R,4S,5R)-1-benzyl-2-((S)-(benzyloxy)(quinolin-4-yl)methyl)-5-vinylquinuclidin-1-ium bromide
Manufacturer: ChemScene
CAS Number: 163877-56-3
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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
(9S)-1-(Phenylmethyl)-9-(phenylmethoxy)-cinchonanium Bromide
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 | |
|---|---|---|---|---|
 | 163877-56-3 | (1S,2R,4S,5R)-1-benzyl-2-((S)-(benzyloxy)(quinolin-4-yl)methyl)-5-vinylquinuclidin-1-ium bromide | A2B Chem | -- |
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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: C₃₃H₃₅BrN₂O
Molecular Weight: 555.55
Synonyms: (9S)-1-(Phenylmethyl)-9-(phenylmethoxy)-cinchonanium Bromide
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:
(9S)-1-(Phenylmethyl)-9-(phenylmethoxy)-cinchonanium Bromide
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: C₈H₆Cl₂N₂
Molecular Weight: 201.05
Synonyms: None
SMILES: CN1C=CC2=C(Cl)C=C(Cl)N=C21
Tpsa: 17.82
Logp: 2.8801
H Acceptors: 2
H Donors: 0
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:
C₈H₆Cl₂N₂
Molecular Weight:
201.05
Synonyms:
None
SMILES:
CN1C=CC2=C(Cl)C=C(Cl)N=C21
Tpsa:
17.82
Logp:
2.8801
H Acceptors:
2
H Donors:
0
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: C₈H₁₅N₃O₂
Molecular Weight: 185.22
Synonyms: None
SMILES: CC(C)(C)OC(=O)C(C)(C)N=[N+]=[N-]
Tpsa: 75.06
Logp: 2.417
H Acceptors: 3
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:
C₈H₁₅N₃O₂
Molecular Weight:
185.22
Synonyms:
None
SMILES:
CC(C)(C)OC(=O)C(C)(C)N=[N+]=[N-]
Tpsa:
75.06
Logp:
2.417
H Acceptors:
3
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: C₇H₁₀I₂N₂O
Molecular Weight: 391.98
Synonyms: None
SMILES: IC1=CN(C(OCC)C)N=C1I
Tpsa: 27.05
Logp: 2.6473
H Acceptors: 3
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:
C₇H₁₀I₂N₂O
Molecular Weight:
391.98
Synonyms:
None
SMILES:
IC1=CN(C(OCC)C)N=C1I
Tpsa:
27.05
Logp:
2.6473
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
3