CS-0546280
4-(Sec-butoxy)-N-((1-oxo-1,3-dihydroisobenzofuran-5-yl)carbamothioyl)benzamide
Manufacturer: ChemScene
CAS Number: 591241-45-1
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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
C₂₀H₂₀N₂O₄S
Molecular Weight
384.45
Synonyms
None
SMILES
O=C1OCC2=CC(=CC=C12)NC(=S)NC(=O)C3=CC=C(OC(C)CC)C=C3
Tpsa
76.66
Logp
3.6611
H Acceptors
5
H Donors
2
Rotatable Bonds
5
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: C₂₀H₂₀N₂O₄S
Molecular Weight: 384.45
Synonyms: None
SMILES: O=C1OCC2=CC(=CC=C12)NC(=S)NC(=O)C3=CC=C(OC(C)CC)C=C3
Tpsa: 76.66
Logp: 3.6611
H Acceptors: 5
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:
C₂₀H₂₀N₂O₄S
Molecular Weight:
384.45
Synonyms:
None
SMILES:
O=C1OCC2=CC(=CC=C12)NC(=S)NC(=O)C3=CC=C(OC(C)CC)C=C3
Tpsa:
76.66
Logp:
3.6611
H Acceptors:
5
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: C₁₇H₁₀ClF₃N₂O₂
Molecular Weight: 366.72
Synonyms: 8-acetyl-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-dihydroquinolin-4-one
SMILES: CC(=O)C1=CC=CC2=C1NC=C(C2=O)C3=C(C=C(C=N3)C(F)(F)F)Cl
Tpsa: 62.82
Logp: 4.4649
H Acceptors: 3
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:
C₁₇H₁₀ClF₃N₂O₂
Molecular Weight:
366.72
Synonyms:
8-acetyl-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-dihydroquinolin-4-one
SMILES:
CC(=O)C1=CC=CC2=C1NC=C(C2=O)C3=C(C=C(C=N3)C(F)(F)F)Cl
Tpsa:
62.82
Logp:
4.4649
H Acceptors:
3
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: C₁₅H₁₅NO₅
Molecular Weight: 289.28
Synonyms: N-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2-methylbenzamide
SMILES: CC1=CC=CC=C1C(=O)NC=C2C(=O)OC(OC2=O)(C)C
Tpsa: 81.7
Logp: 1.44482
H Acceptors: 5
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:
C₁₅H₁₅NO₅
Molecular Weight:
289.28
Synonyms:
N-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2-methylbenzamide
SMILES:
CC1=CC=CC=C1C(=O)NC=C2C(=O)OC(OC2=O)(C)C
Tpsa:
81.7
Logp:
1.44482
H Acceptors:
5
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: C₂₀H₁₇ClN₂O₂
Molecular Weight: 352.81
Synonyms: None
SMILES: C1=CC=C(C=C1)CNC(=O)C2=CN(C(=O)C=C2)CC3=CC=C(C=C3)Cl
Tpsa: 51.1
Logp: 3.48
H Acceptors: 3
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:
C₂₀H₁₇ClN₂O₂
Molecular Weight:
352.81
Synonyms:
None
SMILES:
C1=CC=C(C=C1)CNC(=O)C2=CN(C(=O)C=C2)CC3=CC=C(C=C3)Cl
Tpsa:
51.1
Logp:
3.48
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
5