CS-0361909
Methyl 6-ethyl-2-(thiophene-2-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
Manufacturer: ChemScene
CAS Number: 352679-71-1
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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
C₁₇H₁₉NO₃S₂
Molecular Weight
349.47
Synonyms
Benzo[b]thiophene-3-carboxylic acid, 6-ethyl-4,5,6,7-tetrahydro-2-[(2-thienylcarbonyl)amino]-, methyl ester
SMILES
O=C(C1=C(NC(C2=CC=CS2)=O)SC3=C1CCC(CC)C3)OC
Tpsa
55.4
Logp
4.3634
H Acceptors
5
H Donors
1
Rotatable Bonds
4
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: C₁₇H₁₉NO₃S₂
Molecular Weight: 349.47
Synonyms: Benzo[b]thiophene-3-carboxylic acid, 6-ethyl-4,5,6,7-tetrahydro-2-[(2-thienylcarbonyl)amino]-, methyl ester
SMILES: O=C(C1=C(NC(C2=CC=CS2)=O)SC3=C1CCC(CC)C3)OC
Tpsa: 55.4
Logp: 4.3634
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₁₉NO₃S₂
Molecular Weight:
349.47
Synonyms:
Benzo[b]thiophene-3-carboxylic acid, 6-ethyl-4,5,6,7-tetrahydro-2-[(2-thienylcarbonyl)amino]-, methyl ester
SMILES:
O=C(C1=C(NC(C2=CC=CS2)=O)SC3=C1CCC(CC)C3)OC
Tpsa:
55.4
Logp:
4.3634
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
4
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₇F₄NO₃
Molecular Weight: 289.18
Synonyms: 3-Quinolinecarboxylic acid, 6-fluoro-4-hydroxy-2-(trifluoromethyl)-, methyl ester
SMILES: COC(=O)C1=C(C(F)(F)F)N=C2C=CC(=CC2=C1O)F
Tpsa: 59.42
Logp: 2.8849
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 1
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₇F₄NO₃
Molecular Weight:
289.18
Synonyms:
3-Quinolinecarboxylic acid, 6-fluoro-4-hydroxy-2-(trifluoromethyl)-, methyl ester
SMILES:
COC(=O)C1=C(C(F)(F)F)N=C2C=CC(=CC2=C1O)F
Tpsa:
59.42
Logp:
2.8849
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: C₁₂H₁₈O₃
Molecular Weight: 210.27
Synonyms: methyl 6-isopropyl-2-methyl-4-oxocyclohex-2-enecarboxylate
SMILES: CC(C)C1CC(=O)C=C(C)C1C(=O)OC
Tpsa: 43.37
Logp: 1.9669
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:
C₁₂H₁₈O₃
Molecular Weight:
210.27
Synonyms:
methyl 6-isopropyl-2-methyl-4-oxocyclohex-2-enecarboxylate
SMILES:
CC(C)C1CC(=O)C=C(C)C1C(=O)OC
Tpsa:
43.37
Logp:
1.9669
H Acceptors:
3
H Donors:
0
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: C₇H₁₃NO₄
Molecular Weight: 175.18
Synonyms: ACETYL-L-THREONINE METHYL ESTER
SMILES: C[C@@H](O)[C@H](NC(C)=O)C(OC)=O
Tpsa: 75.63
Logp: -0.9551
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 3
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₁₃NO₄
Molecular Weight:
175.18
Synonyms:
ACETYL-L-THREONINE METHYL ESTER
SMILES:
C[C@@H](O)[C@H](NC(C)=O)C(OC)=O
Tpsa:
75.63
Logp:
-0.9551
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
3