CS-0438853
(3aR,4S,7R,7aS,8S)-8-((1,10-Phenanthrolin-4-yl)ethynyl)octahydro-1H-4,7-methanoisoindol-1-one
Manufacturer: ChemScene
CAS Number: 2416567-38-7
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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
C₂₃H₁₉N₃O
Molecular Weight
353.42
Synonyms
None
SMILES
O=C1NC[C@]2([H])[C@H]3CC[C@H]([C@H]3C#CC4=CC=NC5=C4C=CC6=C5N=CC=C6)[C@@]21[H]
Tpsa
54.88
Logp
3.1527
H Acceptors
3
H Donors
1
Rotatable Bonds
0
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: C₂₃H₁₉N₃O
Molecular Weight: 353.42
Synonyms: None
SMILES: O=C1NC[C@]2([H])[C@H]3CC[C@H]([C@H]3C#CC4=CC=NC5=C4C=CC6=C5N=CC=C6)[C@@]21[H]
Tpsa: 54.88
Logp: 3.1527
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₃H₁₉N₃O
Molecular Weight:
353.42
Synonyms:
None
SMILES:
O=C1NC[C@]2([H])[C@H]3CC[C@H]([C@H]3C#CC4=CC=NC5=C4C=CC6=C5N=CC=C6)[C@@]21[H]
Tpsa:
54.88
Logp:
3.1527
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₂BrNO₂
Molecular Weight: 258.11
Synonyms: 4-Bromo-3,5-Dimethylphenyl-N-Methylcarbamate
SMILES: O=C(NC)OC1=CC(C)=C(Br)C(C)=C1
Tpsa: 38.33
Logp: 2.78414
H Acceptors: 2
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:
C₁₀H₁₂BrNO₂
Molecular Weight:
258.11
Synonyms:
4-Bromo-3,5-Dimethylphenyl-N-Methylcarbamate
SMILES:
O=C(NC)OC1=CC(C)=C(Br)C(C)=C1
Tpsa:
38.33
Logp:
2.78414
H Acceptors:
2
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: C₃₁H₅₀N₄O₄S
Molecular Weight: 574.82
Synonyms: None
SMILES: OC1=C(C(C)(C)C)C=C(OC(C(C)(C)C)=O)C=C1/C=N/[C@@H]2[C@@H](NC(N[C@@H](C(C)(C)C)C(N(C)C)=O)=S)CCCC2
Tpsa: 103.26
Logp: 5.3383
H Acceptors: 6
H Donors: 3
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₁H₅₀N₄O₄S
Molecular Weight:
574.82
Synonyms:
None
SMILES:
OC1=C(C(C)(C)C)C=C(OC(C(C)(C)C)=O)C=C1/C=N/[C@@H]2[C@@H](NC(N[C@@H](C(C)(C)C)C(N(C)C)=O)=S)CCCC2
Tpsa:
103.26
Logp:
5.3383
H Acceptors:
6
H Donors:
3
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₅H₂₃BF₆N₂O₅S₂
Molecular Weight: 620.39
Synonyms: None
SMILES: FC(F)(F)S(NS(C(F)(F)F)(=O)=O)(=O)=O.[H][C@]12C(C3=CC=CC=C3)(C4=CC=CC=C4)OB(C5=CC=CC=C5)N1CCC2
Tpsa: 92.78
Logp: 4.0954
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₅H₂₃BF₆N₂O₅S₂
Molecular Weight:
620.39
Synonyms:
None
SMILES:
FC(F)(F)S(NS(C(F)(F)F)(=O)=O)(=O)=O.[H][C@]12C(C3=CC=CC=C3)(C4=CC=CC=C4)OB(C5=CC=CC=C5)N1CCC2
Tpsa:
92.78
Logp:
4.0954
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
5