CS-0377430
4-(2-(5-Chloro-6-(4-(ethoxycarbonyl)piperidin-1-yl)nicotinamido)-4-(4-chlorothiophen-2-yl)thiazol-5-yl)-1-cyclohexylpiperazine 1-oxide 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
C₃₁H₃₈Cl₂N₆O₄S₂
Molecular Weight
693.71
Synonyms
None
SMILES
ClC1=C(N2CCC(C(OCC)=O)CC2)N=CC(C(NC(S3)=NC(C4=CC(Cl)=CS4)=C3N(CC5)CC[N+]5([O-])C6CCCCC6)=O)=C1
Tpsa
110.72
Logp
7.0725
H Acceptors
10
H Donors
1
Rotatable Bonds
8
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: C₃₁H₃₈Cl₂N₆O₄S₂
Molecular Weight: 693.71
Synonyms: None
SMILES: ClC1=C(N2CCC(C(OCC)=O)CC2)N=CC(C(NC(S3)=NC(C4=CC(Cl)=CS4)=C3N(CC5)CC[N+]5([O-])C6CCCCC6)=O)=C1
Tpsa: 110.72
Logp: 7.0725
H Acceptors: 10
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:
C₃₁H₃₈Cl₂N₆O₄S₂
Molecular Weight:
693.71
Synonyms:
None
SMILES:
ClC1=C(N2CCC(C(OCC)=O)CC2)N=CC(C(NC(S3)=NC(C4=CC(Cl)=CS4)=C3N(CC5)CC[N+]5([O-])C6CCCCC6)=O)=C1
Tpsa:
110.72
Logp:
7.0725
H Acceptors:
10
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: C₇H₄BrClN₂S₂
Molecular Weight: 295.61
Synonyms: Avatrombopag Impurity 57
SMILES: NC1=NC(C2=CC=C(Cl)S2)=C(Br)S1
Tpsa: 38.91
Logp: 3.8697
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:
C₇H₄BrClN₂S₂
Molecular Weight:
295.61
Synonyms:
Avatrombopag Impurity 57
SMILES:
NC1=NC(C2=CC=C(Cl)S2)=C(Br)S1
Tpsa:
38.91
Logp:
3.8697
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: C₇H₃BrCl₂N₂S₂
Molecular Weight: 330.05
Synonyms: None
SMILES: ClC1=C(Cl)C=C(C2=C(Br)SC(N)=N2)S1
Tpsa: 38.91
Logp: 4.5231
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:
C₇H₃BrCl₂N₂S₂
Molecular Weight:
330.05
Synonyms:
None
SMILES:
ClC1=C(Cl)C=C(C2=C(Br)SC(N)=N2)S1
Tpsa:
38.91
Logp:
4.5231
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: C₃₁H₃₉ClN₆O₄S₂
Molecular Weight: 659.26
Synonyms: None
SMILES: O=C(OCC)C1CCN(C2=C(O)C=C(C(NC3=NC(C4=CC(Cl)=CS4)=C(N5CCN(C6CCCCC6)CC5)S3)=O)C=N2)CC1
Tpsa: 111.13
Logp: 6.1121
H Acceptors: 11
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:
C₃₁H₃₉ClN₆O₄S₂
Molecular Weight:
659.26
Synonyms:
None
SMILES:
O=C(OCC)C1CCN(C2=C(O)C=C(C(NC3=NC(C4=CC(Cl)=CS4)=C(N5CCN(C6CCCCC6)CC5)S3)=O)C=N2)CC1
Tpsa:
111.13
Logp:
6.1121
H Acceptors:
11
H Donors:
2
Rotatable Bonds:
8