CS-1000754
Paliperidone Impurity 78
Manufacturer: ChemScene
CAS Number: 1226154-13-7
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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
C₁₂H₁₃F₂NO
Molecular Weight
225.23
Synonyms
None
SMILES
O=C(C=1C=C(F)C=C(F)C1)C2CCNCC2
Tpsa
29.1
Logp
2.1471
H Acceptors
2
H Donors
1
Rotatable Bonds
2
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 1226154-13-7 | (3,5-Difluorophenyl)-4-piperidinylmethanone | 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: C₁₂H₁₃F₂NO
Molecular Weight: 225.23
Synonyms: None
SMILES: O=C(C=1C=C(F)C=C(F)C1)C2CCNCC2
Tpsa: 29.1
Logp: 2.1471
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:
C₁₂H₁₃F₂NO
Molecular Weight:
225.23
Synonyms:
None
SMILES:
O=C(C=1C=C(F)C=C(F)C1)C2CCNCC2
Tpsa:
29.1
Logp:
2.1471
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: C₇₀H₆₉N₁₉O₂S
Molecular Weight: 1240.49
Synonyms: None
SMILES: O=S(=O)(NC1=CC=C(C=C1)C(C2=CC(=CC=C2C)NC3=NC=CC(=N3)N(C=4C=CC=5C(=NN(C5C)C)C4)C)C6=CC(=CC=C6C)NC7=NC=CC(=N7)N(C=8C=CC=9C(=NN(C9C)C)C8)C)C%10=CC(=CC=C%10C)NC%11=NC=CC(=N%11)N(C=%12C=CC=%13C(=NN(C%13C)C)C%12)C
Tpsa: 222.78
Logp: 14.08272
H Acceptors: 20
H Donors: 4
Rotatable Bonds: 18
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇₀H₆₉N₁₉O₂S
Molecular Weight:
1240.49
Synonyms:
None
SMILES:
O=S(=O)(NC1=CC=C(C=C1)C(C2=CC(=CC=C2C)NC3=NC=CC(=N3)N(C=4C=CC=5C(=NN(C5C)C)C4)C)C6=CC(=CC=C6C)NC7=NC=CC(=N7)N(C=8C=CC=9C(=NN(C9C)C)C8)C)C%10=CC(=CC=C%10C)NC%11=NC=CC(=N%11)N(C=%12C=CC=%13C(=NN(C%13C)C)C%12)C
Tpsa:
222.78
Logp:
14.08272
H Acceptors:
20
H Donors:
4
Rotatable Bonds:
18
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₃H₂₇F₃O₅S
Molecular Weight: 472.52
Synonyms: None
SMILES: C(SCF)(=O)[C@]1(OC=O)[C@]2(C)[C@@](C[C@H]1C)([C@]3([C@](F)([C@@H](O)C2)[C@]4(C)C([C@@H](F)C3)=CC(=O)C=C4)[H])[H]
Tpsa: 80.67
Logp: 3.6498
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₃H₂₇F₃O₅S
Molecular Weight:
472.52
Synonyms:
None
SMILES:
C(SCF)(=O)[C@]1(OC=O)[C@]2(C)[C@@](C[C@H]1C)([C@]3([C@](F)([C@@H](O)C2)[C@]4(C)C([C@@H](F)C3)=CC(=O)C=C4)[H])[H]
Tpsa:
80.67
Logp:
3.6498
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₁₈ClNOS
Molecular Weight: 331.86
Synonyms: None
SMILES: Cl.O=C1C=2SC=CC2C(C=3C=CC=CC3C1)=C4CCNCC4
Tpsa: 29.1
Logp: 4.094
H Acceptors: 3
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:
C₁₈H₁₈ClNOS
Molecular Weight:
331.86
Synonyms:
None
SMILES:
Cl.O=C1C=2SC=CC2C(C=3C=CC=CC3C1)=C4CCNCC4
Tpsa:
29.1
Logp:
4.094
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
0