CS-0435292
2-Cyano-3-(5-(2-octyl-7-(4-(p-tolyl)-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indol-7-yl)-2H-benzo[d][1,2,3]triazol-4-yl)thiophen-2-yl)acrylic acid
Manufacturer: ChemScene
CAS Number: 1334739-85-3
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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
C₄₀H₄₁N₅O₂S
Molecular Weight
655.85
Synonyms
(E)-2-cyano-3-(5-(2-octyl-7-(4-(p-tolyl)-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indol-7-yl)-2H-benzo[d][1,2,3]triazol-4-yl)thiophen-2-yl)acrylic acid
SMILES
N#C/C(C(O)=O)=C\C1=CC=C(C2=CC=C(C3=NN(CCCCCCCC)N=C32)C4=CC(C5CCCC5N6C7=CC=C(C)C=C7)=C6C=C4)S1
Tpsa
95.04
Logp
10.2751
H Acceptors
7
H Donors
1
Rotatable Bonds
12
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 1334739-85-3 | (E)-2-cyano-3-(5-(2-octyl-7-(4-(p-tolyl)-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indol-7-yl)-2H-benzo[d][1,2,3]triazol-4-yl)thiophen-2-yl)acrylic acid | 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: C₄₀H₄₁N₅O₂S
Molecular Weight: 655.85
Synonyms: (E)-2-cyano-3-(5-(2-octyl-7-(4-(p-tolyl)-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indol-7-yl)-2H-benzo[d][1,2,3]triazol-4-yl)thiophen-2-yl)acrylic acid
SMILES: N#C/C(C(O)=O)=C\C1=CC=C(C2=CC=C(C3=NN(CCCCCCCC)N=C32)C4=CC(C5CCCC5N6C7=CC=C(C)C=C7)=C6C=C4)S1
Tpsa: 95.04
Logp: 10.2751
H Acceptors: 7
H Donors: 1
Rotatable Bonds: 12
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₀H₄₁N₅O₂S
Molecular Weight:
655.85
Synonyms:
(E)-2-cyano-3-(5-(2-octyl-7-(4-(p-tolyl)-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indol-7-yl)-2H-benzo[d][1,2,3]triazol-4-yl)thiophen-2-yl)acrylic acid
SMILES:
N#C/C(C(O)=O)=C\C1=CC=C(C2=CC=C(C3=NN(CCCCCCCC)N=C32)C4=CC(C5CCCC5N6C7=CC=C(C)C=C7)=C6C=C4)S1
Tpsa:
95.04
Logp:
10.2751
H Acceptors:
7
H Donors:
1
Rotatable Bonds:
12
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₁H₄₈N₂O₄
Molecular Weight: 632.83
Synonyms: None
SMILES: [O-]C1[C+](/C=C2N(CC)C3=C(C4=CC=CC=C4C=C3)C\2(C)C)C([O-])=C1/C=C5N(CCCCCCCC)C6=C(C=C(C([OH2+])=O)C=C6)C/5(C)C
Tpsa: 92.57
Logp: 6.67959
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₁H₄₈N₂O₄
Molecular Weight:
632.83
Synonyms:
None
SMILES:
[O-]C1[C+](/C=C2N(CC)C3=C(C4=CC=CC=C4C=C3)C\2(C)C)C([O-])=C1/C=C5N(CCCCCCCC)C6=C(C=C(C([OH2+])=O)C=C6)C/5(C)C
Tpsa:
92.57
Logp:
6.67959
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
11
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅₀H₃₀
Molecular Weight: 630.77
Synonyms: BSBF , 2-(9,9'-Spirobifluoren-2-yl)-9,9'-spirobifluorene
SMILES: C1(C2(C3=C(C4=C2C=CC=C4)C=CC=C3)C5=C6C=CC=C5)=C6C=CC(C7=CC(C8(C9=C(C%10=C8C=CC=C%10)C=CC=C9)C%11=C%12C=CC=C%11)=C%12C=C7)=C1
Tpsa: 0
Logp: 12.0406
H Acceptors: 0
H Donors: 0
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:
C₅₀H₃₀
Molecular Weight:
630.77
Synonyms:
BSBF , 2-(9,9'-Spirobifluoren-2-yl)-9,9'-spirobifluorene
SMILES:
C1(C2(C3=C(C4=C2C=CC=C4)C=CC=C3)C5=C6C=CC=C5)=C6C=CC(C7=CC(C8(C9=C(C%10=C8C=CC=C%10)C=CC=C9)C%11=C%12C=CC=C%11)=C%12C=C7)=C1
Tpsa:
0
Logp:
12.0406
H Acceptors:
0
H Donors:
0
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: C₂₆H₁₈O
Molecular Weight: 346.42
Synonyms: None
SMILES: O=CC1=CC=C(C2(C3=CC=CC=C3)C4=C(C5=C2C=CC=C5)C=CC=C4)C=C1
Tpsa: 17.07
Logp: 5.8622
H Acceptors: 1
H Donors: 0
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:
C₂₆H₁₈O
Molecular Weight:
346.42
Synonyms:
None
SMILES:
O=CC1=CC=C(C2(C3=CC=CC=C3)C4=C(C5=C2C=CC=C5)C=CC=C4)C=C1
Tpsa:
17.07
Logp:
5.8622
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
3