CS-0532410
(2-((2-Aminophenyl)thio)phenyl)(4-(2-(2-hydroxyethoxy)ethyl)piperazin-1-yl)methanone Quetiapine Impurity
Manufacturer: ChemScene
CAS Number: 848814-27-7
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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
C₂₁H₂₇N₃O₃S
Molecular Weight
401.52
Synonyms
[2-(2-Aminophenyl)sulfanylphenyl]-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]methanone
SMILES
O=C(N(CC1)CCN1CCOCCO)C2=C(C=CC=C2)SC(C=CC=C3)=C3N
Tpsa
79.03
Logp
2.1867
H Acceptors
6
H Donors
2
Rotatable Bonds
8
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 848814-27-7 | Piperazine,1-[2-[(2-aminophenyl)thio]benzoyl]-4-[2-(2-hydroxyethoxy)ethyl]- | A2B Chem | -- |
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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: C₂₁H₂₇N₃O₃S
Molecular Weight: 401.52
Synonyms: [2-(2-Aminophenyl)sulfanylphenyl]-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]methanone
SMILES: O=C(N(CC1)CCN1CCOCCO)C2=C(C=CC=C2)SC(C=CC=C3)=C3N
Tpsa: 79.03
Logp: 2.1867
H Acceptors: 6
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:
C₂₁H₂₇N₃O₃S
Molecular Weight:
401.52
Synonyms:
[2-(2-Aminophenyl)sulfanylphenyl]-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]methanone
SMILES:
O=C(N(CC1)CCN1CCOCCO)C2=C(C=CC=C2)SC(C=CC=C3)=C3N
Tpsa:
79.03
Logp:
2.1867
H Acceptors:
6
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: C₂₂H₃₀O₄
Molecular Weight: 358.47
Synonyms: 17-acetyl-11,17-dihydroxy-6,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
SMILES: C[C@@]12[C@](CC[C@]2(O)C(C)=O)([H])[C@@]3([H])[C@@]([C@H](C1)O)([H])[C@@]4(C([C@H](C3)C)=CC(C=C4)=O)C
Tpsa: 74.6
Logp: 2.8312
H Acceptors: 4
H Donors: 2
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:
C₂₂H₃₀O₄
Molecular Weight:
358.47
Synonyms:
17-acetyl-11,17-dihydroxy-6,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
SMILES:
C[C@@]12[C@](CC[C@]2(O)C(C)=O)([H])[C@@]3([H])[C@@]([C@H](C1)O)([H])[C@@]4(C([C@H](C3)C)=CC(C=C4)=O)C
Tpsa:
74.6
Logp:
2.8312
H Acceptors:
4
H Donors:
2
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: C₂₁H₂₄ClN₃O₂S
Molecular Weight: 417.95
Synonyms: 9-Chloro Quetiapine
SMILES: ClC1=CC=CC2=C1N=C(N3CCN(CC3)CCOCCO)C4=C(C=CC=C4)S2
Tpsa: 48.3
Logp: 3.5094
H Acceptors: 6
H Donors: 1
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:
C₂₁H₂₄ClN₃O₂S
Molecular Weight:
417.95
Synonyms:
9-Chloro Quetiapine
SMILES:
ClC1=CC=CC2=C1N=C(N3CCN(CC3)CCOCCO)C4=C(C=CC=C4)S2
Tpsa:
48.3
Logp:
3.5094
H Acceptors:
6
H Donors:
1
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: C₁₈H₃₄ClN₂O₈PS
Molecular Weight: 504.96
Synonyms: Clindamycin 4-Phosphate
SMILES: O=C(C1N(CC(C1)CCC)C)NC(C2OC(C(C(C2OP(O)(O)=O)O)O)SC)C(C)Cl
Tpsa: 148.79
Logp: 0.5065
H Acceptors: 8
H Donors: 5
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₃₄ClN₂O₈PS
Molecular Weight:
504.96
Synonyms:
Clindamycin 4-Phosphate
SMILES:
O=C(C1N(CC(C1)CCC)C)NC(C2OC(C(C(C2OP(O)(O)=O)O)O)SC)C(C)Cl
Tpsa:
148.79
Logp:
0.5065
H Acceptors:
8
H Donors:
5
Rotatable Bonds:
9