CS-0533520
4-(4-(4-Chlorophenyl)-4-hydroxypiperidin-1-yl)-1-(3-ethyl-4-fluorophenyl)butan-1-one Haloperidol Impurity
Manufacturer: ChemScene
CAS Number: 1391052-87-1
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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
C₂₃H₂₇ClFNO₂
Molecular Weight
403.92
Synonyms
4-(4-(4-Chlorophenyl)-4-hydroxypiperidin-1-yl)-1-(3-ethyl-4-fluorophenyl)butan-1-one
SMILES
O=C(CCCN1CCC(C2=CC=C(C=C2)Cl)(CC1)O)C3=CC=C(C(CC)=C3)F
Tpsa
40.54
Logp
4.988
H Acceptors
3
H Donors
1
Rotatable Bonds
7
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 1391052-87-1 | 4-[4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(3-ethyl-4-fluorophenyl)-1-butanone | A2B Chem | -- |
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: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₃H₂₇ClFNO₂
Molecular Weight: 403.92
Synonyms: 4-(4-(4-Chlorophenyl)-4-hydroxypiperidin-1-yl)-1-(3-ethyl-4-fluorophenyl)butan-1-one
SMILES: O=C(CCCN1CCC(C2=CC=C(C=C2)Cl)(CC1)O)C3=CC=C(C(CC)=C3)F
Tpsa: 40.54
Logp: 4.988
H Acceptors: 3
H Donors: 1
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:
C₂₃H₂₇ClFNO₂
Molecular Weight:
403.92
Synonyms:
4-(4-(4-Chlorophenyl)-4-hydroxypiperidin-1-yl)-1-(3-ethyl-4-fluorophenyl)butan-1-one
SMILES:
O=C(CCCN1CCC(C2=CC=C(C=C2)Cl)(CC1)O)C3=CC=C(C(CC)=C3)F
Tpsa:
40.54
Logp:
4.988
H Acceptors:
3
H Donors:
1
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: C₂₂H₂₆O₂
Molecular Weight: 322.44
Synonyms: (8R,9S,13S,14S,17R)-13-Ethyl-17-ethynyl-3-methoxy-7,8,9,11,12,13,14,17-octahydro-6H-cyclopenta[a]phenanthren-17-ol (non-preferred name)
SMILES: CC[C@@]12[C@](C=C[C@@]2(O)C#C)([H])[C@@]3([H])[C@](C4=CC=C(OC)C=C4CC3)([H])CC1
Tpsa: 29.46
Logp: 4.0817
H Acceptors: 2
H Donors: 1
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:
C₂₂H₂₆O₂
Molecular Weight:
322.44
Synonyms:
(8R,9S,13S,14S,17R)-13-Ethyl-17-ethynyl-3-methoxy-7,8,9,11,12,13,14,17-octahydro-6H-cyclopenta[a]phenanthren-17-ol (non-preferred name)
SMILES:
CC[C@@]12[C@](C=C[C@@]2(O)C#C)([H])[C@@]3([H])[C@](C4=CC=C(OC)C=C4CC3)([H])CC1
Tpsa:
29.46
Logp:
4.0817
H Acceptors:
2
H Donors:
1
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: C₁₁H₁₄N₂OS
Molecular Weight: 222.31
Synonyms: 3-(beta-Aminophenethyl)-2-thiazolidinone
SMILES: O=C1SCCN1CC(C2=CC=CC=C2)N
Tpsa: 46.33
Logp: 1.8552
H Acceptors: 3
H Donors: 1
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:
C₁₁H₁₄N₂OS
Molecular Weight:
222.31
Synonyms:
3-(beta-Aminophenethyl)-2-thiazolidinone
SMILES:
O=C1SCCN1CC(C2=CC=CC=C2)N
Tpsa:
46.33
Logp:
1.8552
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
3
Purity: 98%
MDL No: MFCD00127917
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₃Cl₂NO₂
Molecular Weight: 322.19
Synonyms: None
SMILES: O=C(C1=CC(Cl)=CC=C1N(C)C(CCl)=O)C2=CC=CC=C2
Tpsa: 37.38
Logp: 3.7726
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 4
Purity:
98%
MDL No:
MFCD00127917
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₃Cl₂NO₂
Molecular Weight:
322.19
Synonyms:
None
SMILES:
O=C(C1=CC(Cl)=CC=C1N(C)C(CCl)=O)C2=CC=CC=C2
Tpsa:
37.38
Logp:
3.7726
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
4