CS-0011387
(1R,2S)-4-(Dimethylamino)-1-(2-methoxyquinolin-3-yl)-2-(naphthalen-1-yl)-1-phenylbutan-2-ol compound with (1S,2R)-4-(dimethylamino)-1-(2-methoxyquinolin-3-yl)-2-(naphthalen-1-yl)-1-phenylbutan-2-ol 1:1
Manufacturer: ChemScene
CAS Number: None
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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
C₆₄H₆₄N₄O₄
Molecular Weight
953.22
Synonyms
None
SMILES
CN(C)CC[C@](C1=CC=CC2=C1C=CC=C2)(O)[C@H](C3=CC=CC=C3)C4=CC5=CC=CC=C5N=C4OC.CN(C)CC[C@@](C6=CC=CC7=C6C=CC=C7)(O)[C@@H](C8=CC=CC=C8)C9=CC%10=CC=CC=C%10N=C9OC
Tpsa
91.18
Logp
12.736
H Acceptors
8
H Donors
2
Rotatable Bonds
16
Other Options
...
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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: C₆₄H₆₄N₄O₄
Molecular Weight: 953.22
Synonyms: None
SMILES: CN(C)CC[C@](C1=CC=CC2=C1C=CC=C2)(O)[C@H](C3=CC=CC=C3)C4=CC5=CC=CC=C5N=C4OC.CN(C)CC[C@@](C6=CC=CC7=C6C=CC=C7)(O)[C@@H](C8=CC=CC=C8)C9=CC%10=CC=CC=C%10N=C9OC
Tpsa: 91.18
Logp: 12.736
H Acceptors: 8
H Donors: 2
Rotatable Bonds: 16
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆₄H₆₄N₄O₄
Molecular Weight:
953.22
Synonyms:
None
SMILES:
CN(C)CC[C@](C1=CC=CC2=C1C=CC=C2)(O)[C@H](C3=CC=CC=C3)C4=CC5=CC=CC=C5N=C4OC.CN(C)CC[C@@](C6=CC=CC7=C6C=CC=C7)(O)[C@@H](C8=CC=CC=C8)C9=CC%10=CC=CC=C%10N=C9OC
Tpsa:
91.18
Logp:
12.736
H Acceptors:
8
H Donors:
2
Rotatable Bonds:
16
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆₂H₅₈Br₂N₄O₄
Molecular Weight: 1082.96
Synonyms: None
SMILES: BrC1=CC=C(NC(C([C@@H](C2=CC=CC=C2)[C@@](O)(CCN(C)C)C3=CC=CC4=C3C=CC=C4)=C5)=O)C5=C1.BrC6=CC=C(NC(C([C@H](C7=CC=CC=C7)[C@](O)(CCN(C)C)C8=CC=CC9=C8C=CC=C9)=C%10)=O)C%10=C6
Tpsa: 112.66
Logp: 12.8304
H Acceptors: 6
H Donors: 4
Rotatable Bonds: 14
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆₂H₅₈Br₂N₄O₄
Molecular Weight:
1082.96
Synonyms:
None
SMILES:
BrC1=CC=C(NC(C([C@@H](C2=CC=CC=C2)[C@@](O)(CCN(C)C)C3=CC=CC4=C3C=CC=C4)=C5)=O)C5=C1.BrC6=CC=C(NC(C([C@H](C7=CC=CC=C7)[C@](O)(CCN(C)C)C8=CC=CC9=C8C=CC=C9)=C%10)=O)C%10=C6
Tpsa:
112.66
Logp:
12.8304
H Acceptors:
6
H Donors:
4
Rotatable Bonds:
14
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₉H₃₁ClO₁₁
Molecular Weight: 591.00
Synonyms: None
SMILES: ClC1=CC=C([C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O2)C=C1C(C3=CC=C(OCC)C=C3)=O
Tpsa: 140.73
Logp: 3.7678
H Acceptors: 11
H Donors: 0
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:
C₂₉H₃₁ClO₁₁
Molecular Weight:
591.00
Synonyms:
None
SMILES:
ClC1=CC=C([C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O2)C=C1C(C3=CC=C(OCC)C=C3)=O
Tpsa:
140.73
Logp:
3.7678
H Acceptors:
11
H Donors:
0
Rotatable Bonds:
10
Purity: 98%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₁H₂₃ClO₇
Molecular Weight: 422.86
Synonyms: Dapagliflozin-3
SMILES: ClC1=CC=C([C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C=C1C(C3=CC=C(OCC)C=C3)=O
Tpsa: 116.45
Logp: 1.4846
H Acceptors: 7
H Donors: 4
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₂₃ClO₇
Molecular Weight:
422.86
Synonyms:
Dapagliflozin-3
SMILES:
ClC1=CC=C([C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C=C1C(C3=CC=C(OCC)C=C3)=O
Tpsa:
116.45
Logp:
1.4846
H Acceptors:
7
H Donors:
4
Rotatable Bonds:
6