CS-0618959
Anthra[2,1,9-def:6,5,10-d'e'f′]diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-bis[2-(dimethylamino)ethyl]-, 4-methylbenzenesulfonate 1:2
Manufacturer: ChemScene
CAS Number: 1535171-00-6
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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
C₃₉H₃₆N₄O₇S
Molecular Weight
704.79
Synonyms
None
SMILES
O=C1C2=CC=C3C4=CC=C5C(N(CCN(C)C)C(C6=CC=C(C4=C56)C7=C3C2=C(C(N1CCN(C)C)=O)C=C7)=O)=O.O=S(O)(C8=CC=C(C)C=C8)=O
Tpsa
135.61
Logp
5.29412
H Acceptors
8
H Donors
1
Rotatable Bonds
7
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: C₃₉H₃₆N₄O₇S
Molecular Weight: 704.79
Synonyms: None
SMILES: O=C1C2=CC=C3C4=CC=C5C(N(CCN(C)C)C(C6=CC=C(C4=C56)C7=C3C2=C(C(N1CCN(C)C)=O)C=C7)=O)=O.O=S(O)(C8=CC=C(C)C=C8)=O
Tpsa: 135.61
Logp: 5.29412
H Acceptors: 8
H Donors: 1
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₉H₃₆N₄O₇S
Molecular Weight:
704.79
Synonyms:
None
SMILES:
O=C1C2=CC=C3C4=CC=C5C(N(CCN(C)C)C(C6=CC=C(C4=C56)C7=C3C2=C(C(N1CCN(C)C)=O)C=C7)=O)=O.O=S(O)(C8=CC=C(C)C=C8)=O
Tpsa:
135.61
Logp:
5.29412
H Acceptors:
8
H Donors:
1
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₄H₄₉BrN₂O₅
Molecular Weight: 765.77
Synonyms: None
SMILES: O=C1C(C=CC(C2=C(C=C3C(N4CC(CCCC)CC)=O)OCCCC)=C56)=C5C(C(N1CC(CCCC)CC)=O)=CC(Br)=C6C(C2=C73)=CC=C7C4=O
Tpsa: 83.99
Logp: 11.3034
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 16
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₄H₄₉BrN₂O₅
Molecular Weight:
765.77
Synonyms:
None
SMILES:
O=C1C(C=CC(C2=C(C=C3C(N4CC(CCCC)CC)=O)OCCCC)=C56)=C5C(C(N1CC(CCCC)CC)=O)=CC(Br)=C6C(C2=C73)=CC=C7C4=O
Tpsa:
83.99
Logp:
11.3034
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
16
Purity: 95%
MDL No: None
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₇N₃O₃
Molecular Weight: 263.29
Synonyms: None
SMILES: O=C(C(C1=C(N(C(C)C)N=C1C)N2)=CC2=O)OCC
Tpsa: 76.98
Logp: 1.79062
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 3
Purity:
95%
MDL No:
None
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₇N₃O₃
Molecular Weight:
263.29
Synonyms:
None
SMILES:
O=C(C(C1=C(N(C(C)C)N=C1C)N2)=CC2=O)OCC
Tpsa:
76.98
Logp:
1.79062
H Acceptors:
5
H Donors:
1
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: C₈H₈Br₂N₂O₂
Molecular Weight: 323.97
Synonyms: None
SMILES: O=C(C1=NC(Br)=C(C)N=C1Br)OCC
Tpsa: 52.08
Logp: 2.48672
H Acceptors: 4
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:
C₈H₈Br₂N₂O₂
Molecular Weight:
323.97
Synonyms:
None
SMILES:
O=C(C1=NC(Br)=C(C)N=C1Br)OCC
Tpsa:
52.08
Logp:
2.48672
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
2