CS-0377376
1-(3,4-Dichloro-6-((4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)thiazol-2-yl)carbamoyl)pyridin-2-yl)piperidine-4-carboxylic acid Avatrombopag Impurity
Manufacturer: ChemScene
CAS Number: None
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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
C₂₉H₃₃Cl₃N₆O₃S₂
Molecular Weight
684.10
Synonyms
None
SMILES
ClC1=CSC(C2=C(N3CCN(C4CCCCC4)CC3)SC(NC(C5=NC(N6CCC(C(O)=O)CC6)=C(Cl)C(Cl)=C5)=O)=N2)=C1
Tpsa
101.9
Logp
7.2348
H Acceptors
9
H Donors
2
Rotatable Bonds
7
Other Options
...
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: C₂₉H₃₃Cl₃N₆O₃S₂
Molecular Weight: 684.10
Synonyms: None
SMILES: ClC1=CSC(C2=C(N3CCN(C4CCCCC4)CC3)SC(NC(C5=NC(N6CCC(C(O)=O)CC6)=C(Cl)C(Cl)=C5)=O)=N2)=C1
Tpsa: 101.9
Logp: 7.2348
H Acceptors: 9
H Donors: 2
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:
C₂₉H₃₃Cl₃N₆O₃S₂
Molecular Weight:
684.10
Synonyms:
None
SMILES:
ClC1=CSC(C2=C(N3CCN(C4CCCCC4)CC3)SC(NC(C5=NC(N6CCC(C(O)=O)CC6)=C(Cl)C(Cl)=C5)=O)=N2)=C1
Tpsa:
101.9
Logp:
7.2348
H Acceptors:
9
H Donors:
2
Rotatable Bonds:
7
Purity: 98%
MDL No: MFCD21337909
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₂₈N₂O₂
Molecular Weight: 268.40
Synonyms: tert-butyl 4-cyclohexylpiperazine-1-carboxylate
SMILES: O=C(OC(C)(C)C)N1CCN(C2CCCCC2)CC1
Tpsa: 32.78
Logp: 2.8718
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
MFCD21337909
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₂₈N₂O₂
Molecular Weight:
268.40
Synonyms:
tert-butyl 4-cyclohexylpiperazine-1-carboxylate
SMILES:
O=C(OC(C)(C)C)N1CCN(C2CCCCC2)CC1
Tpsa:
32.78
Logp:
2.8718
H Acceptors:
3
H Donors:
0
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: C₇H₄Cl₂N₂S₂
Molecular Weight: 251.16
Synonyms: Avatrombopag Impurity 20
SMILES: ClC1=C(Cl)SC(C2=CSC(N)=N2)=C1
Tpsa: 38.91
Logp: 3.7606
H Acceptors: 4
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:
C₇H₄Cl₂N₂S₂
Molecular Weight:
251.16
Synonyms:
Avatrombopag Impurity 20
SMILES:
ClC1=C(Cl)SC(C2=CSC(N)=N2)=C1
Tpsa:
38.91
Logp:
3.7606
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: MFCD02258397
Storage: 4°C, sealed storage, away from moisture
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅H₆N₄O
Molecular Weight: 138.13
Synonyms: None
SMILES: N=C(C1=NC=CN=C1)NO
Tpsa: 81.89
Logp: -0.21923
H Acceptors: 4
H Donors: 3
Rotatable Bonds: 1
Purity:
98%
MDL No:
MFCD02258397
Storage:
4°C, sealed storage, away from moisture
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅H₆N₄O
Molecular Weight:
138.13
Synonyms:
None
SMILES:
N=C(C1=NC=CN=C1)NO
Tpsa:
81.89
Logp:
-0.21923
H Acceptors:
4
H Donors:
3
Rotatable Bonds:
1