CS-0377461
Ethyl 1-(1-(3-chloro-5-((4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)thiazol-2-yl)carbamoyl)pyridin-2-yl)piperidine-4-carbonyl)piperidine-4-carboxylate 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
C₃₇H₄₇Cl₂N₇O₄S₂
Molecular Weight
788.85
Synonyms
None
SMILES
O=C(NC1=NC(C2=CC(Cl)=CS2)=C(N3CCN(C4CCCCC4)CC3)S1)C5=CN=C(C(Cl)=C5)N6CCC(C(N7CCC(C(OCC)=O)CC7)=O)CC6
Tpsa
111.21
Logp
7.2985
H Acceptors
11
H Donors
1
Rotatable Bonds
9
Other Options
...
SAFETY INFORMATION
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: C₃₇H₄₇Cl₂N₇O₄S₂
Molecular Weight: 788.85
Synonyms: None
SMILES: O=C(NC1=NC(C2=CC(Cl)=CS2)=C(N3CCN(C4CCCCC4)CC3)S1)C5=CN=C(C(Cl)=C5)N6CCC(C(N7CCC(C(OCC)=O)CC7)=O)CC6
Tpsa: 111.21
Logp: 7.2985
H Acceptors: 11
H Donors: 1
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:
C₃₇H₄₇Cl₂N₇O₄S₂
Molecular Weight:
788.85
Synonyms:
None
SMILES:
O=C(NC1=NC(C2=CC(Cl)=CS2)=C(N3CCN(C4CCCCC4)CC3)S1)C5=CN=C(C(Cl)=C5)N6CCC(C(N7CCC(C(OCC)=O)CC7)=O)CC6
Tpsa:
111.21
Logp:
7.2985
H Acceptors:
11
H Donors:
1
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: C₅₂H₆₅Cl₃N₁₂S₆
Molecular Weight: 1156.90
Synonyms: None
SMILES: ClC1=CSC(C2=C(SC(N/C(NC3=NC(C4=CC(Cl)=CS4)=C(N5CCN(C6CCCCC6)CC5)S3)=N/C7=NC(C8=CC(Cl)=CS8)=C(N9CCN(C%10CCCCC%10)CC9)S7)=N2)N(CC%11)CCN%11C%12CCCCC%12)=C1
Tpsa: 94.53
Logp: 14.7776
H Acceptors: 16
H Donors: 2
Rotatable Bonds: 12
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅₂H₆₅Cl₃N₁₂S₆
Molecular Weight:
1156.90
Synonyms:
None
SMILES:
ClC1=CSC(C2=C(SC(N/C(NC3=NC(C4=CC(Cl)=CS4)=C(N5CCN(C6CCCCC6)CC5)S3)=N/C7=NC(C8=CC(Cl)=CS8)=C(N9CCN(C%10CCCCC%10)CC9)S7)=N2)N(CC%11)CCN%11C%12CCCCC%12)=C1
Tpsa:
94.53
Logp:
14.7776
H Acceptors:
16
H Donors:
2
Rotatable Bonds:
12
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₀H₃₆Cl₂N₆O₃S₂
Molecular Weight: 663.68
Synonyms: 4-Piperidinecarboxylic acid, 1-[3-chloro-5-[[[4-(4-chloro-2-thienyl)-5-(4-cyclohexyl-1-piperazinyl)-2-thiazolyl]amino]carbonyl]-2-pyridinyl]-, methyl ester
SMILES: O=C(NC1=NC(C2=CC(Cl)=CS2)=C(N3CCN(C4CCCCC4)CC3)S1)C5=CN=C(C(Cl)=C5)N6CCC(C(OC)=O)CC6
Tpsa: 90.9
Logp: 6.6698
H Acceptors: 10
H Donors: 1
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:
C₃₀H₃₆Cl₂N₆O₃S₂
Molecular Weight:
663.68
Synonyms:
4-Piperidinecarboxylic acid, 1-[3-chloro-5-[[[4-(4-chloro-2-thienyl)-5-(4-cyclohexyl-1-piperazinyl)-2-thiazolyl]amino]carbonyl]-2-pyridinyl]-, methyl ester
SMILES:
O=C(NC1=NC(C2=CC(Cl)=CS2)=C(N3CCN(C4CCCCC4)CC3)S1)C5=CN=C(C(Cl)=C5)N6CCC(C(OC)=O)CC6
Tpsa:
90.9
Logp:
6.6698
H Acceptors:
10
H Donors:
1
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₈N₂O₃
Molecular Weight: 262.30
Synonyms: None
SMILES: O=C(C1CCN(C(C2=CC=NC=C2)=O)CC1)OCC
Tpsa: 59.5
Logp: 1.4969
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₈N₂O₃
Molecular Weight:
262.30
Synonyms:
None
SMILES:
O=C(C1CCN(C(C2=CC=NC=C2)=O)CC1)OCC
Tpsa:
59.5
Logp:
1.4969
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
3