CS-1004475
4-[(1S)-4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzaldehyde
Manufacturer: ChemScene
CAS Number: 658080-77-4
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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
C₂₀H₂₄FNO₃
Molecular Weight
345.41
Synonyms
None
SMILES
[C@@](CCCN(C)C)(O)(C1=C(CO)C=C(C=O)C=C1)C2=CC=C(F)C=C2
Tpsa
60.77
Logp
2.7082
H Acceptors
4
H Donors
2
Rotatable Bonds
8
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: C₂₀H₂₄FNO₃
Molecular Weight: 345.41
Synonyms: None
SMILES: [C@@](CCCN(C)C)(O)(C1=C(CO)C=C(C=O)C=C1)C2=CC=C(F)C=C2
Tpsa: 60.77
Logp: 2.7082
H Acceptors: 4
H Donors: 2
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:
C₂₀H₂₄FNO₃
Molecular Weight:
345.41
Synonyms:
None
SMILES:
[C@@](CCCN(C)C)(O)(C1=C(CO)C=C(C=O)C=C1)C2=CC=C(F)C=C2
Tpsa:
60.77
Logp:
2.7082
H Acceptors:
4
H Donors:
2
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: C₁₆H₁₈O₂
Molecular Weight: 242.31
Synonyms: None
SMILES: OCC(C=1C=CC=CC1)C(C=2C=CC=CC2)CO
Tpsa: 40.46
Logp: 2.5386
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₈O₂
Molecular Weight:
242.31
Synonyms:
None
SMILES:
OCC(C=1C=CC=CC1)C(C=2C=CC=CC2)CO
Tpsa:
40.46
Logp:
2.5386
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₁₀BrNO₄
Molecular Weight: 252.06
Synonyms: None
SMILES: C(\C(OCC)=O)(/C(CBr)=O)=N\OC
Tpsa: 64.96
Logp: 0.5159
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₁₀BrNO₄
Molecular Weight:
252.06
Synonyms:
None
SMILES:
C(\C(OCC)=O)(/C(CBr)=O)=N\OC
Tpsa:
64.96
Logp:
0.5159
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₁₂O₅
Molecular Weight: 188.18
Synonyms: None
SMILES: O(C(C)=O)[C@H]1[C@@]2([C@@]([C@@H](O)CO2)(OC1)[H])[H]
Tpsa: 64.99
Logp: -0.9234
H Acceptors: 5
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:
C₈H₁₂O₅
Molecular Weight:
188.18
Synonyms:
None
SMILES:
O(C(C)=O)[C@H]1[C@@]2([C@@]([C@@H](O)CO2)(OC1)[H])[H]
Tpsa:
64.99
Logp:
-0.9234
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
1