CS-1004790
Paliperidone Tetradehydro Impurity
Manufacturer: ChemScene
CAS Number: 766485-15-8
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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
C₂₃H₂₃FN₄O₃
Molecular Weight
422.45
Synonyms
None
SMILES
O=C1C(=C(N=C2C(O)=CC=CN12)C)CCN3CCC(C4=NOC=5C=C(F)C=CC54)CC3
Tpsa
83.87
Logp
3.41092
H Acceptors
7
H Donors
1
Rotatable Bonds
4
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 766485-15-8 | 3-[2-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-9-hydroxy-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one | 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: C₂₃H₂₃FN₄O₃
Molecular Weight: 422.45
Synonyms: None
SMILES: O=C1C(=C(N=C2C(O)=CC=CN12)C)CCN3CCC(C4=NOC=5C=C(F)C=CC54)CC3
Tpsa: 83.87
Logp: 3.41092
H Acceptors: 7
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:
C₂₃H₂₃FN₄O₃
Molecular Weight:
422.45
Synonyms:
None
SMILES:
O=C1C(=C(N=C2C(O)=CC=CN12)C)CCN3CCC(C4=NOC=5C=C(F)C=CC54)CC3
Tpsa:
83.87
Logp:
3.41092
H Acceptors:
7
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: C₇H₁₀O₃
Molecular Weight: 142.15
Synonyms: None
SMILES: C(O)(=O)[C@@H]1C[C@]2([C@](O2)(CC1)[H])[H]
Tpsa: 49.83
Logp: 0.6385
H Acceptors: 2
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:
C₇H₁₀O₃
Molecular Weight:
142.15
Synonyms:
None
SMILES:
C(O)(=O)[C@@H]1C[C@]2([C@](O2)(CC1)[H])[H]
Tpsa:
49.83
Logp:
0.6385
H Acceptors:
2
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: C₂₉H₃₇NO₈
Molecular Weight: 527.61
Synonyms: None
SMILES: O(C([C@](CC(OC)=O)(CCC=C(C)C)O)=O)[C@H]1[C@@]2([C@@]3(N(CCC=4C2=CC5=C(C4)OCO5)CCC3)C=C1OC)[H]
Tpsa: 103.76
Logp: 3.3859
H Acceptors: 9
H Donors: 1
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:
C₂₉H₃₇NO₈
Molecular Weight:
527.61
Synonyms:
None
SMILES:
O(C([C@](CC(OC)=O)(CCC=C(C)C)O)=O)[C@H]1[C@@]2([C@@]3(N(CCC=4C2=CC5=C(C4)OCO5)CCC3)C=C1OC)[H]
Tpsa:
103.76
Logp:
3.3859
H Acceptors:
9
H Donors:
1
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: C₁₃H₂₁N₄O₈P
Molecular Weight: 392.30
Synonyms: None
SMILES: O[C@H]1[C@@H](O[C@H](COP(=O)(O)N2CCOCC2)[C@H]1O)N3C(=O)N=C(N)C=C3
Tpsa: 169.6
Logp: -2.1061
H Acceptors: 10
H Donors: 4
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:
C₁₃H₂₁N₄O₈P
Molecular Weight:
392.30
Synonyms:
None
SMILES:
O[C@H]1[C@@H](O[C@H](COP(=O)(O)N2CCOCC2)[C@H]1O)N3C(=O)N=C(N)C=C3
Tpsa:
169.6
Logp:
-2.1061
H Acceptors:
10
H Donors:
4
Rotatable Bonds:
5