CS-0543259
3-(5-Methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoic acid
Manufacturer: ChemScene
CAS Number: 887631-54-1
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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
C₁₆H₁₅NO₄
Molecular Weight
285.29
Synonyms
benzoic acid, 3-(1,3,3a,4,7,7a-hexahydro-5-methyl-1,3-diox
SMILES
O=C(O)C1=CC=CC(N(C(C2CC(C)=CCC32)=O)C3=O)=C1
Tpsa
74.68
Logp
2.2305
H Acceptors
3
H Donors
1
Rotatable Bonds
2
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: C₁₆H₁₅NO₄
Molecular Weight: 285.29
Synonyms: benzoic acid, 3-(1,3,3a,4,7,7a-hexahydro-5-methyl-1,3-diox
SMILES: O=C(O)C1=CC=CC(N(C(C2CC(C)=CCC32)=O)C3=O)=C1
Tpsa: 74.68
Logp: 2.2305
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:
C₁₆H₁₅NO₄
Molecular Weight:
285.29
Synonyms:
benzoic acid, 3-(1,3,3a,4,7,7a-hexahydro-5-methyl-1,3-diox
SMILES:
O=C(O)C1=CC=CC(N(C(C2CC(C)=CCC32)=O)C3=O)=C1
Tpsa:
74.68
Logp:
2.2305
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: C₁₄H₁₃NO₄S₂
Molecular Weight: 323.39
Synonyms: None
SMILES: COC1=CC=C(C=C1)S(=O)(=O)NC2CC(=O)C3=C2C=CS3
Tpsa: 72.47
Logp: 2.3627
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:
C₁₄H₁₃NO₄S₂
Molecular Weight:
323.39
Synonyms:
None
SMILES:
COC1=CC=C(C=C1)S(=O)(=O)NC2CC(=O)C3=C2C=CS3
Tpsa:
72.47
Logp:
2.3627
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: C₁₄H₁₃N₃O
Molecular Weight: 239.27
Synonyms: 3-(1-ethyl-1H-1,3-benzodiazol-2-yl)-1,2-dihydropyridin-2-one
SMILES: O=C1C(C2=NC3=CC=CC=C3N2CC)=CC=CN1
Tpsa: 50.68
Logp: 2.4115
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:
C₁₄H₁₃N₃O
Molecular Weight:
239.27
Synonyms:
3-(1-ethyl-1H-1,3-benzodiazol-2-yl)-1,2-dihydropyridin-2-one
SMILES:
O=C1C(C2=NC3=CC=CC=C3N2CC)=CC=CN1
Tpsa:
50.68
Logp:
2.4115
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: C₁₉H₁₂F₃NO₄
Molecular Weight: 375.30
Synonyms: 9-[2-(TRIFLUOROMETHYL)PHENYL]-6,9-DIHYDRO[1,3]DIOXOLO[4,5-G]FURO[3,4-B]QUINOLIN-8(5H)-ONE
SMILES: C1C2=C(C(C3=CC4=C(C=C3N2)OCO4)C5=CC=CC=C5C(F)(F)F)C(=O)O1
Tpsa: 56.79
Logp: 3.8024
H Acceptors: 5
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:
C₁₉H₁₂F₃NO₄
Molecular Weight:
375.30
Synonyms:
9-[2-(TRIFLUOROMETHYL)PHENYL]-6,9-DIHYDRO[1,3]DIOXOLO[4,5-G]FURO[3,4-B]QUINOLIN-8(5H)-ONE
SMILES:
C1C2=C(C(C3=CC4=C(C=C3N2)OCO4)C5=CC=CC=C5C(F)(F)F)C(=O)O1
Tpsa:
56.79
Logp:
3.8024
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
1