CS-0539599
Methyl 4-acetamido-2-(2-bromoethoxy)-5-chlorobenzoate
Manufacturer: ChemScene
CAS Number: 748788-41-2
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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
C₁₂H₁₃BrClNO₄
Molecular Weight
350.59
Synonyms
Prucalopride Impurity B
SMILES
O=C(OC)C1=CC(Cl)=C(NC(C)=O)C=C1OCCBr
Tpsa
64.63
Logp
2.8587
H Acceptors
4
H Donors
1
Rotatable Bonds
5
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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: C₁₂H₁₃BrClNO₄
Molecular Weight: 350.59
Synonyms: Prucalopride Impurity B
SMILES: O=C(OC)C1=CC(Cl)=C(NC(C)=O)C=C1OCCBr
Tpsa: 64.63
Logp: 2.8587
H Acceptors: 4
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:
C₁₂H₁₃BrClNO₄
Molecular Weight:
350.59
Synonyms:
Prucalopride Impurity B
SMILES:
O=C(OC)C1=CC(Cl)=C(NC(C)=O)C=C1OCCBr
Tpsa:
64.63
Logp:
2.8587
H Acceptors:
4
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: C₁₇H₂₄N₂O₃
Molecular Weight: 304.38
Synonyms: Benzenepropanoic acid, 4-(4-ethyl-1-piperazinyl)-β-oxo-, ethyl ester
SMILES: O=C(OCC)CC(C1=CC=C(N2CCN(CC)CC2)C=C1)=O
Tpsa: 49.85
Logp: 1.9644
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₂₄N₂O₃
Molecular Weight:
304.38
Synonyms:
Benzenepropanoic acid, 4-(4-ethyl-1-piperazinyl)-β-oxo-, ethyl ester
SMILES:
O=C(OCC)CC(C1=CC=C(N2CCN(CC)CC2)C=C1)=O
Tpsa:
49.85
Logp:
1.9644
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₈O₃
Molecular Weight: 174.24
Synonyms: Heptanoic acid, 3-hydroxy-, ethyl ester
SMILES: CCCCC(CC(=O)OCC)O
Tpsa: 46.53
Logp: 1.4907
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₈O₃
Molecular Weight:
174.24
Synonyms:
Heptanoic acid, 3-hydroxy-, ethyl ester
SMILES:
CCCCC(CC(=O)OCC)O
Tpsa:
46.53
Logp:
1.4907
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₅NO₂
Molecular Weight: 193.24
Synonyms: Ethyl 5,6,7,8-tetrahydro-1-indolizinecarboxylate
SMILES: CCOC(=O)C1=C2CCCCN2C=C1
Tpsa: 31.23
Logp: 2.0011
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₅NO₂
Molecular Weight:
193.24
Synonyms:
Ethyl 5,6,7,8-tetrahydro-1-indolizinecarboxylate
SMILES:
CCOC(=O)C1=C2CCCCN2C=C1
Tpsa:
31.23
Logp:
2.0011
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
2