CS-1007260
3-(4-Carboxybenzyl)-2-(2-(3-(2-(3-(4-carboxybenzyl)-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene)-2-chlorocyclohex-1-en-1-yl)vinyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium bromide
Manufacturer: ChemScene
CAS Number: 1558000-75-1
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Purity
97%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₅₄H₄₈BrClN₂O₄
Molecular Weight
904.33
Synonyms
None
SMILES
[Br-].O=C(O)C1=CC=C(C=C1)CN2C=3C=CC=4C=CC=CC4C3C(C2=CC=C5C(Cl)=C(C=CC6=[N+](C=7C=CC=8C=CC=CC8C7C6(C)C)CC9=CC=C(C=C9)C(=O)O)CCC5)(C)C
Tpsa
80.85
Logp
10.0111
H Acceptors
3
H Donors
2
Rotatable Bonds
9
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 1558000-75-1 | 3-(4-carboxybenzyl)-2-((Z)-2-((E)-3-((Z)-2-(3-(4-carboxybenzyl)-1,1-dimethyl-1H-benzo[e]indol-2(3H)-ylidene)ethylidene)-2-chlorocyclohex-1-en-1-yl)vinyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium bromide | 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: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅₄H₄₈BrClN₂O₄
Molecular Weight: 904.33
Synonyms: None
SMILES: [Br-].O=C(O)C1=CC=C(C=C1)CN2C=3C=CC=4C=CC=CC4C3C(C2=CC=C5C(Cl)=C(C=CC6=[N+](C=7C=CC=8C=CC=CC8C7C6(C)C)CC9=CC=C(C=C9)C(=O)O)CCC5)(C)C
Tpsa: 80.85
Logp: 10.0111
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 9
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅₄H₄₈BrClN₂O₄
Molecular Weight:
904.33
Synonyms:
None
SMILES:
[Br-].O=C(O)C1=CC=C(C=C1)CN2C=3C=CC=4C=CC=CC4C3C(C2=CC=C5C(Cl)=C(C=CC6=[N+](C=7C=CC=8C=CC=CC8C7C6(C)C)CC9=CC=C(C=C9)C(=O)O)CCC5)(C)C
Tpsa:
80.85
Logp:
10.0111
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₆H₁₅N₃
Molecular Weight: 369.42
Synonyms: None
SMILES: N#CC1=CC(C#N)=CC(=C1)C=2C=CC=C(C2)N3C=4C=CC=CC4C=5C=CC=CC53
Tpsa: 52.51
Logp: 6.19406
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:
C₂₆H₁₅N₃
Molecular Weight:
369.42
Synonyms:
None
SMILES:
N#CC1=CC(C#N)=CC(=C1)C=2C=CC=C(C2)N3C=4C=CC=CC4C=5C=CC=CC53
Tpsa:
52.51
Logp:
6.19406
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: C₁₈H₁₀N₄O₄
Molecular Weight: 346.30
Synonyms: None
SMILES: N#CC(=CC=1C=CN=C(C1)C=2N=CC=C(C=C(C#N)C(=O)O)C2)C(=O)O
Tpsa: 147.96
Logp: 2.12676
H Acceptors: 6
H Donors: 2
Rotatable Bonds: 5
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₁₀N₄O₄
Molecular Weight:
346.30
Synonyms:
None
SMILES:
N#CC(=CC=1C=CN=C(C1)C=2N=CC=C(C=C(C#N)C(=O)O)C2)C(=O)O
Tpsa:
147.96
Logp:
2.12676
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
5
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₂₂N₄
Molecular Weight: 246.35
Synonyms: None
SMILES: N=1NC(=C(C1CC)C=2C(=NNC2CC)CC)CC
Tpsa: 57.36
Logp: 3.0494
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 5
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₂₂N₄
Molecular Weight:
246.35
Synonyms:
None
SMILES:
N=1NC(=C(C1CC)C=2C(=NNC2CC)CC)CC
Tpsa:
57.36
Logp:
3.0494
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
5