CS-0438856
3-(tert-Butyl)-5-((E)-(((1S,2S)-2-(3-((S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl)thioureido)cyclohexyl)imino)methyl)-4-hydroxyphenyl pivalate
Manufacturer: ChemScene
CAS Number: None
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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
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
Other Options
...
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: 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
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₆N₂O
Molecular Weight: 252.31
Synonyms: None
SMILES: CCC1=CC=CC(C2=N[C@H](C3=CC=CC=C3)CO2)=N1
Tpsa: 34.48
Logp: 3.1621
H Acceptors: 3
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:
C₁₆H₁₆N₂O
Molecular Weight:
252.31
Synonyms:
None
SMILES:
CCC1=CC=CC(C2=N[C@H](C3=CC=CC=C3)CO2)=N1
Tpsa:
34.48
Logp:
3.1621
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
3
Purity: 97%
MDL No: None
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₁ClFN
Molecular Weight: 187.64
Synonyms: None
SMILES: FC1=CC=C(C=C1)[C@@H]2CCN2.Cl
Tpsa: 12.03
Logp: 2.2819
H Acceptors: 1
H Donors: 1
Rotatable Bonds: 1
Purity:
97%
MDL No:
None
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₁ClFN
Molecular Weight:
187.64
Synonyms:
None
SMILES:
FC1=CC=C(C=C1)[C@@H]2CCN2.Cl
Tpsa:
12.03
Logp:
2.2819
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
1