CS-0653499
(3aR,4R,5R,6aS)-Hexahydro-4-[(1E)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-2-oxo-2H-cyclopenta[b]furan-5-yl [1,1′-biphenyl]-4-carboxylate
Manufacturer: ChemScene
CAS Number: 1056147-98-8
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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
C₃₁H₂₇F₃O₆
Molecular Weight
552.54
Synonyms
None
SMILES
FC(F)(F)C1=CC=CC(OCC(O)/C=C/[C@@H]2[C@]3([H])[C@](OC(C3)=O)([H])C[C@H]2OC(C4=CC=C(C5=CC=CC=C5)C=C4)=O)=C1
Tpsa
82.06
Logp
5.8455
H Acceptors
6
H Donors
1
Rotatable Bonds
8
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: C₃₁H₂₇F₃O₆
Molecular Weight: 552.54
Synonyms: None
SMILES: FC(F)(F)C1=CC=CC(OCC(O)/C=C/[C@@H]2[C@]3([H])[C@](OC(C3)=O)([H])C[C@H]2OC(C4=CC=C(C5=CC=CC=C5)C=C4)=O)=C1
Tpsa: 82.06
Logp: 5.8455
H Acceptors: 6
H Donors: 1
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:
C₃₁H₂₇F₃O₆
Molecular Weight:
552.54
Synonyms:
None
SMILES:
FC(F)(F)C1=CC=CC(OCC(O)/C=C/[C@@H]2[C@]3([H])[C@](OC(C3)=O)([H])C[C@H]2OC(C4=CC=C(C5=CC=CC=C5)C=C4)=O)=C1
Tpsa:
82.06
Logp:
5.8455
H Acceptors:
6
H Donors:
1
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: C₃₀H₄₇F₃O₅Si₂
Molecular Weight: 600.86
Synonyms: None
SMILES: O=C(O1)C[C@@H]([C@@H]1C2)[C@@H](/C=C/C(O[Si](C)(C)C(C)(C)C)COC3=CC(C(F)(F)F)=CC=C3)[C@@H]2O[Si](C)(C)C(C)(C)C
Tpsa: 53.99
Logp: 8.3728
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₀H₄₇F₃O₅Si₂
Molecular Weight:
600.86
Synonyms:
None
SMILES:
O=C(O1)C[C@@H]([C@@H]1C2)[C@@H](/C=C/C(O[Si](C)(C)C(C)(C)C)COC3=CC(C(F)(F)F)=CC=C3)[C@@H]2O[Si](C)(C)C(C)(C)C
Tpsa:
53.99
Logp:
8.3728
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₁H₂₇F₃O₆
Molecular Weight: 552.54
Synonyms: None
SMILES: FC(F)(F)C1=CC=CC(OC[C@@H](O)/C=C/[C@@H]2[C@]3([H])[C@](OC(C3)=O)([H])C[C@H]2OC(C4=CC=C(C5=CC=CC=C5)C=C4)=O)=C1
Tpsa: 82.06
Logp: 5.8455
H Acceptors: 6
H Donors: 1
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:
C₃₁H₂₇F₃O₆
Molecular Weight:
552.54
Synonyms:
None
SMILES:
FC(F)(F)C1=CC=CC(OC[C@@H](O)/C=C/[C@@H]2[C@]3([H])[C@](OC(C3)=O)([H])C[C@H]2OC(C4=CC=C(C5=CC=CC=C5)C=C4)=O)=C1
Tpsa:
82.06
Logp:
5.8455
H Acceptors:
6
H Donors:
1
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: C₁₈H₁₉F₃O₅
Molecular Weight: 372.34
Synonyms: None
SMILES: O=C1C[C@@]([C@@H](/C=C/[C@H](O)COC2=CC=CC(C(F)(F)F)=C2)[C@H](O)C3)([H])[C@@]3([H])O1
Tpsa: 75.99
Logp: 2.3138
H Acceptors: 5
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:
C₁₈H₁₉F₃O₅
Molecular Weight:
372.34
Synonyms:
None
SMILES:
O=C1C[C@@]([C@@H](/C=C/[C@H](O)COC2=CC=CC(C(F)(F)F)=C2)[C@H](O)C3)([H])[C@@]3([H])O1
Tpsa:
75.99
Logp:
2.3138
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
5