CS-0999808
(11bS)-1-(3,5-Bis(trifluoromethyl)phenyl)-3-((1S,2S)-2-(3,5-dihydro-4H-dinaphtho[2,1-c:1',2'-e]azepin-4-yl)cyclohexyl)thiourea
Manufacturer: ChemScene
CAS Number: 1854082-50-0
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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
C₃₇H₃₁F₆N₃S
Molecular Weight
663.72
Synonyms
None
SMILES
FC(F)(F)C1=CC(=CC(=C1)C(F)(F)F)NC(=S)NC2CCCCC2N3CC4=CC=C5C=CC=CC5=C4C=6C=7C=CC=CC7C=CC6C3
Tpsa
27.3
Logp
10.311
H Acceptors
2
H Donors
2
Rotatable Bonds
3
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: C₃₇H₃₁F₆N₃S
Molecular Weight: 663.72
Synonyms: None
SMILES: FC(F)(F)C1=CC(=CC(=C1)C(F)(F)F)NC(=S)NC2CCCCC2N3CC4=CC=C5C=CC=CC5=C4C=6C=7C=CC=CC7C=CC6C3
Tpsa: 27.3
Logp: 10.311
H Acceptors: 2
H Donors: 2
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:
C₃₇H₃₁F₆N₃S
Molecular Weight:
663.72
Synonyms:
None
SMILES:
FC(F)(F)C1=CC(=CC(=C1)C(F)(F)F)NC(=S)NC2CCCCC2N3CC4=CC=C5C=CC=CC5=C4C=6C=7C=CC=CC7C=CC6C3
Tpsa:
27.3
Logp:
10.311
H Acceptors:
2
H Donors:
2
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: C₂₉H₃₃BrN₂O
Molecular Weight: 505.49
Synonyms: None
SMILES: C([N@@+]12[C@]([C@H](OCC=C)C=3C4=C(N=CC3)C=CC=C4)(C[C@@]([C@@H](C=C)C1)(CC2)[H])[H])C5=CC=CC=C5.[Br-]
Tpsa: 22.12
Logp: 3.0939
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₉H₃₃BrN₂O
Molecular Weight:
505.49
Synonyms:
None
SMILES:
C([N@@+]12[C@]([C@H](OCC=C)C=3C4=C(N=CC3)C=CC=C4)(C[C@@]([C@@H](C=C)C1)(CC2)[H])[H])C5=CC=CC=C5.[Br-]
Tpsa:
22.12
Logp:
3.0939
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
8
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆₂H₇₆O₄P₂
Molecular Weight: 947.21
Synonyms: None
SMILES: O1C2=CC=C(C(=C2OC1)C=3C=4OCOC4C=CC3P(C=5C=C(C=C(C5)C(C)C)C(C)C)C=6C=C(C=C(C6)C(C)C)C(C)C)P(C=7C=C(C=C(C7)C(C)C)C(C)C)C=8C=C(C=C(C8)C(C)C)C(C)C
Tpsa: 36.92
Logp: 15.3146
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 15
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆₂H₇₆O₄P₂
Molecular Weight:
947.21
Synonyms:
None
SMILES:
O1C2=CC=C(C(=C2OC1)C=3C=4OCOC4C=CC3P(C=5C=C(C=C(C5)C(C)C)C(C)C)C=6C=C(C=C(C6)C(C)C)C(C)C)P(C=7C=C(C=C(C7)C(C)C)C(C)C)C=8C=C(C=C(C8)C(C)C)C(C)C
Tpsa:
36.92
Logp:
15.3146
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
15
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅₇H₅₉N₃O₄Si₂
Molecular Weight: 906.27
Synonyms: None
SMILES: [Si](OC[C@H]1[C@@H](OC(=N1)C=2N=C(C=CC2)C=3O[C@H]([C@H](CO[Si](C(C)(C)C)(C4=CC=CC=C4)C5=CC=CC=C5)N3)C6=CC=CC=C6)C7=CC=CC=C7)(C(C)(C)C)(C8=CC=CC=C8)C9=CC=CC=C9
Tpsa: 74.53
Logp: 10.0082
H Acceptors: 7
H Donors: 0
Rotatable Bonds: 14
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅₇H₅₉N₃O₄Si₂
Molecular Weight:
906.27
Synonyms:
None
SMILES:
[Si](OC[C@H]1[C@@H](OC(=N1)C=2N=C(C=CC2)C=3O[C@H]([C@H](CO[Si](C(C)(C)C)(C4=CC=CC=C4)C5=CC=CC=C5)N3)C6=CC=CC=C6)C7=CC=CC=C7)(C(C)(C)C)(C8=CC=CC=C8)C9=CC=CC=C9
Tpsa:
74.53
Logp:
10.0082
H Acceptors:
7
H Donors:
0
Rotatable Bonds:
14