CS-0914340
((3R,4S)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl)methyl 4-methylbenzenesulfonate
Manufacturer: ChemScene
CAS Number: 1258537-32-4
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Purity
≥95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₂₀H₂₄FNO₃S
Molecular Weight
377.47
Synonyms
None
SMILES
C(OS(=O)(=O)C1=CC=C(C)C=C1)[C@@H]2[C@H](CCN(C)C2)C3=CC=C(F)C=C3
Tpsa
46.61
Logp
3.57492
H Acceptors
4
H Donors
0
Rotatable Bonds
5
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SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
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: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₀H₂₄FNO₃S
Molecular Weight: 377.47
Synonyms: None
SMILES: C(OS(=O)(=O)C1=CC=C(C)C=C1)[C@@H]2[C@H](CCN(C)C2)C3=CC=C(F)C=C3
Tpsa: 46.61
Logp: 3.57492
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 5
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₂₄FNO₃S
Molecular Weight:
377.47
Synonyms:
None
SMILES:
C(OS(=O)(=O)C1=CC=C(C)C=C1)[C@@H]2[C@H](CCN(C)C2)C3=CC=C(F)C=C3
Tpsa:
46.61
Logp:
3.57492
H Acceptors:
4
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: C₂₁H₂₆ClNO₄
Molecular Weight: 391.89
Synonyms: None
SMILES: C(OC=1C=C2C(=CC1)OCO2)[C@H]3[C@@H](CCN(C)C3)C4=CC=C(OC)C=C4.Cl
Tpsa: 40.16
Logp: 3.96
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:
C₂₁H₂₆ClNO₄
Molecular Weight:
391.89
Synonyms:
None
SMILES:
C(OC=1C=C2C(=CC1)OCO2)[C@H]3[C@@H](CCN(C)C3)C4=CC=C(OC)C=C4.Cl
Tpsa:
40.16
Logp:
3.96
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: C₇H₁₄ClNS
Molecular Weight: 179.71
Synonyms: None
SMILES: C1NCC12CCSCC2.Cl
Tpsa: 12.03
Logp: 1.5248
H Acceptors: 2
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:
C₇H₁₄ClNS
Molecular Weight:
179.71
Synonyms:
None
SMILES:
C1NCC12CCSCC2.Cl
Tpsa:
12.03
Logp:
1.5248
H Acceptors:
2
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: C₂₀H₃₆N₂O₆
Molecular Weight: 400.51
Synonyms: None
SMILES: [C@@H](C(CC)CC)(NC(C)=O)[C@]1([C@H](NC(OC(C)(C)C)=O)C[C@@H](C(OC)=O)[C@H]1O)[H]
Tpsa: 113.96
Logp: 1.9906
H Acceptors: 6
H Donors: 3
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₃₆N₂O₆
Molecular Weight:
400.51
Synonyms:
None
SMILES:
[C@@H](C(CC)CC)(NC(C)=O)[C@]1([C@H](NC(OC(C)(C)C)=O)C[C@@H](C(OC)=O)[C@H]1O)[H]
Tpsa:
113.96
Logp:
1.9906
H Acceptors:
6
H Donors:
3
Rotatable Bonds:
7