CS-0034164
2-(2-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)amino)ethyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
Manufacturer: ChemScene
CAS Number: 1005035-64-2
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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
C₁₆H₁₃ClF₃N₃O₃
Molecular Weight
387.74
Synonyms
4-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-10-oxa-4-azatricyclo[5.2.1.0^{2,6}]dec-8-ene-3,5-dione
SMILES
O=C1N(CCNC2=NC=C(C(F)(F)F)C=C2Cl)C(C3C(O4)C=CC4C13)=O
Tpsa
71.53
Logp
2.1041
H Acceptors
5
H Donors
1
Rotatable Bonds
4
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 1005035-64-2 | 2-(2-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)amino)ethyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione | A2B Chem | -- |
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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: C₁₆H₁₃ClF₃N₃O₃
Molecular Weight: 387.74
Synonyms: 4-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-10-oxa-4-azatricyclo[5.2.1.0^{2,6}]dec-8-ene-3,5-dione
SMILES: O=C1N(CCNC2=NC=C(C(F)(F)F)C=C2Cl)C(C3C(O4)C=CC4C13)=O
Tpsa: 71.53
Logp: 2.1041
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:
C₁₆H₁₃ClF₃N₃O₃
Molecular Weight:
387.74
Synonyms:
4-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-10-oxa-4-azatricyclo[5.2.1.0^{2,6}]dec-8-ene-3,5-dione
SMILES:
O=C1N(CCNC2=NC=C(C(F)(F)F)C=C2Cl)C(C3C(O4)C=CC4C13)=O
Tpsa:
71.53
Logp:
2.1041
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: C₁₃H₁₃NO₃
Molecular Weight: 231.25
Synonyms: None
SMILES: O=C(C(C1)CC2C1C(C3=CC=CC=C3)=NO2)O
Tpsa: 58.89
Logp: 1.9003
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:
C₁₃H₁₃NO₃
Molecular Weight:
231.25
Synonyms:
None
SMILES:
O=C(C(C1)CC2C1C(C3=CC=CC=C3)=NO2)O
Tpsa:
58.89
Logp:
1.9003
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2
Purity: ≥95.0%
MDL No: MFCD00002119
Storage: -20°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₇NO
Molecular Weight: 121.14
Synonyms: None
SMILES: O/N=C/C1=CC=CC=C1
Tpsa: N/A
Logp: N/A
H Acceptors: N/A
H Donors: N/A
Rotatable Bonds: N/A
Purity:
≥95.0%
MDL No:
MFCD00002119
Storage:
-20°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₇NO
Molecular Weight:
121.14
Synonyms:
None
SMILES:
O/N=C/C1=CC=CC=C1
Tpsa:
N/A
Logp:
N/A
H Acceptors:
N/A
H Donors:
N/A
Rotatable Bonds:
N/A
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₂₀O₄
Molecular Weight: 348.39
Synonyms: 6,7-DIMETHYL-8-(1-NAPHTHYL)-7,8-DIHYDRO-6H-[1,3]DIOXOLO[4,5-G]CHROMEN-6-OL
SMILES: OC1(C)C(C)C(C2=C3C=CC=CC3=CC=C2)C4=CC5=C(OCO5)C=C4O1
Tpsa: 47.92
Logp: 4.4374
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:
C₂₂H₂₀O₄
Molecular Weight:
348.39
Synonyms:
6,7-DIMETHYL-8-(1-NAPHTHYL)-7,8-DIHYDRO-6H-[1,3]DIOXOLO[4,5-G]CHROMEN-6-OL
SMILES:
OC1(C)C(C)C(C2=C3C=CC=CC3=CC=C2)C4=CC5=C(OCO5)C=C4O1
Tpsa:
47.92
Logp:
4.4374
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
1