CS-0332352
Methyl 6-(tert-butyl)-2-(nicotinamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
Manufacturer: ChemScene
CAS Number: 419559-71-0
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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
C₂₀H₂₄N₂O₃S
Molecular Weight
372.48
Synonyms
Benzo[b]thiophene-3-carboxylic acid, 6-(1,1-dimethylethyl)-4,5,6,7-tetrahydro-2-[(3-pyridinylcarbonyl)amino]-, methyl ester
SMILES
O=C(C1=C(NC(C2=CC=CN=C2)=O)SC3=C1CCC(C(C)(C)C)C3)OC
Tpsa
68.29
Logp
4.333
H Acceptors
5
H Donors
1
Rotatable Bonds
3
Related Products
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: C₂₀H₂₄N₂O₃S
Molecular Weight: 372.48
Synonyms: Benzo[b]thiophene-3-carboxylic acid, 6-(1,1-dimethylethyl)-4,5,6,7-tetrahydro-2-[(3-pyridinylcarbonyl)amino]-, methyl ester
SMILES: O=C(C1=C(NC(C2=CC=CN=C2)=O)SC3=C1CCC(C(C)(C)C)C3)OC
Tpsa: 68.29
Logp: 4.333
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₂₄N₂O₃S
Molecular Weight:
372.48
Synonyms:
Benzo[b]thiophene-3-carboxylic acid, 6-(1,1-dimethylethyl)-4,5,6,7-tetrahydro-2-[(3-pyridinylcarbonyl)amino]-, methyl ester
SMILES:
O=C(C1=C(NC(C2=CC=CN=C2)=O)SC3=C1CCC(C(C)(C)C)C3)OC
Tpsa:
68.29
Logp:
4.333
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₁₈ClN₃O₂S
Molecular Weight: 375.87
Synonyms: None
SMILES: O=C(C1=C(C)C(C#N)=C(NC(C2=CC=C(Cl)C=C2)=O)S1)N(CC)CC
Tpsa: 73.2
Logp: 4.3159
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:
C₁₈H₁₈ClN₃O₂S
Molecular Weight:
375.87
Synonyms:
None
SMILES:
O=C(C1=C(C)C(C#N)=C(NC(C2=CC=C(Cl)C=C2)=O)S1)N(CC)CC
Tpsa:
73.2
Logp:
4.3159
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
5
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₂₂Cl₂N₂
Molecular Weight: 229.19
Synonyms: 1-(aMinoMethyl)-N,N-diMethylcyclohexanaMine
SMILES: CN(C)C1(CCCCC1)CN.Cl.Cl
Tpsa: 29.26
Logp: 2.0532
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 2
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₂₂Cl₂N₂
Molecular Weight:
229.19
Synonyms:
1-(aMinoMethyl)-N,N-diMethylcyclohexanaMine
SMILES:
CN(C)C1(CCCCC1)CN.Cl.Cl
Tpsa:
29.26
Logp:
2.0532
H Acceptors:
2
H Donors:
1
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: C₁₀H₁₀O₄S
Molecular Weight: 226.25
Synonyms: 2-(2-Carboxyethylsulfanyl)benzoic acid
SMILES: C1=CC=C(C(=C1)C(=O)O)SCCC(=O)O
Tpsa: 74.6
Logp: 1.9516
H Acceptors: 3
H Donors: 2
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:
C₁₀H₁₀O₄S
Molecular Weight:
226.25
Synonyms:
2-(2-Carboxyethylsulfanyl)benzoic acid
SMILES:
C1=CC=C(C(=C1)C(=O)O)SCCC(=O)O
Tpsa:
74.6
Logp:
1.9516
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
5