CS-0654277
(1R,3aR,4S,7aR)-7a-Methyl-1-((R,E)-7,7,7-trifluoro-6-hydroxy-6-(trifluoromethyl)hept-4-en-2-yl)octahydro-1H-inden-4-ol
Manufacturer: ChemScene
CAS Number: 104807-05-8
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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
C₁₈H₂₆F₆O₂
Molecular Weight
388.39
Synonyms
None
SMILES
C[C@@]12[C@@](CC[C@@]1([H])[C@H](CCC2)O)([H])[C@H](C)C/C=C/C(C(F)(F)F)(O)C(F)(F)F
Tpsa
40.46
Logp
5.0018
H Acceptors
2
H Donors
2
Rotatable Bonds
4
SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
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: C₁₈H₂₆F₆O₂
Molecular Weight: 388.39
Synonyms: None
SMILES: C[C@@]12[C@@](CC[C@@]1([H])[C@H](CCC2)O)([H])[C@H](C)C/C=C/C(C(F)(F)F)(O)C(F)(F)F
Tpsa: 40.46
Logp: 5.0018
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₂₆F₆O₂
Molecular Weight:
388.39
Synonyms:
None
SMILES:
C[C@@]12[C@@](CC[C@@]1([H])[C@H](CCC2)O)([H])[C@H](C)C/C=C/C(C(F)(F)F)(O)C(F)(F)F
Tpsa:
40.46
Logp:
5.0018
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₈H₆₂N₄O₈
Molecular Weight: 823.03
Synonyms: None
SMILES: O=C(O)[C@H](OC(C1=CC=C(C)C=C1)=O)[C@@H](OC(C2=CC=C(C)C=C2)=O)C(O)=O.C[C@H]3[C@@H](NC)CN(CC4=CC=CC=C4)CC3.C[C@H]5[C@@H](NC)CN(CC6=CC=CC=C6)CC5
Tpsa: 157.74
Logp: 6.45644
H Acceptors: 10
H Donors: 4
Rotatable Bonds: 13
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₈H₆₂N₄O₈
Molecular Weight:
823.03
Synonyms:
None
SMILES:
O=C(O)[C@H](OC(C1=CC=C(C)C=C1)=O)[C@@H](OC(C2=CC=C(C)C=C2)=O)C(O)=O.C[C@H]3[C@@H](NC)CN(CC4=CC=CC=C4)CC3.C[C@H]5[C@@H](NC)CN(CC6=CC=CC=C6)CC5
Tpsa:
157.74
Logp:
6.45644
H Acceptors:
10
H Donors:
4
Rotatable Bonds:
13
Purity: 97%
MDL No: None
Storage: Store at room temperature, keep dry and cool
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₉Br₂NO
Molecular Weight: 282.96
Synonyms: None
SMILES: BrCC(C1=NC=CC=C1)O.[H]Br
Tpsa: 33.12
Logp: 2.0878
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 2
Purity:
97%
MDL No:
None
Storage:
Store at room temperature, keep dry and cool
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₉Br₂NO
Molecular Weight:
282.96
Synonyms:
None
SMILES:
BrCC(C1=NC=CC=C1)O.[H]Br
Tpsa:
33.12
Logp:
2.0878
H Acceptors:
2
H Donors:
1
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: C₂₈H₄₄O₂
Molecular Weight: 412.65
Synonyms: None
SMILES: O[C@H]1C[C@H](O)C(/C(C1)=C/C=C2[C@]3([H])CC[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]3(C)CCC/2)=C
Tpsa: 40.46
Logp: 6.6118
H Acceptors: 2
H Donors: 2
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:
C₂₈H₄₄O₂
Molecular Weight:
412.65
Synonyms:
None
SMILES:
O[C@H]1C[C@H](O)C(/C(C1)=C/C=C2[C@]3([H])CC[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]3(C)CCC/2)=C
Tpsa:
40.46
Logp:
6.6118
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
5