CS-0655203
rel-1-Methylethyl (5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]cyclopentyl]-5-heptenoate
Manufacturer: ChemScene
CAS Number: 943825-59-0
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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
C₂₆H₃₃F₃O₆
Molecular Weight
498.53
Synonyms
None
SMILES
CC(C)OC(CCC/C=C\C[C@H]1[C@@H]([C@H](C[C@H]1O)O)/C=C/C(COC2=CC(C(F)(F)F)=CC=C2)=O)=O
Tpsa
93.06
Logp
4.6356
H Acceptors
6
H Donors
2
Rotatable Bonds
12
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: C₂₆H₃₃F₃O₆
Molecular Weight: 498.53
Synonyms: None
SMILES: CC(C)OC(CCC/C=C\C[C@H]1[C@@H]([C@H](C[C@H]1O)O)/C=C/C(COC2=CC(C(F)(F)F)=CC=C2)=O)=O
Tpsa: 93.06
Logp: 4.6356
H Acceptors: 6
H Donors: 2
Rotatable Bonds: 12
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₆H₃₃F₃O₆
Molecular Weight:
498.53
Synonyms:
None
SMILES:
CC(C)OC(CCC/C=C\C[C@H]1[C@@H]([C@H](C[C@H]1O)O)/C=C/C(COC2=CC(C(F)(F)F)=CC=C2)=O)=O
Tpsa:
93.06
Logp:
4.6356
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
12
Purity: 98%
MDL No: None
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₁F₃N₂S
Molecular Weight: 236.26
Synonyms: None
SMILES: FC(C1=CSC(C2CNCCC2)=N1)(F)F
Tpsa: 24.92
Logp: 2.6289
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₁F₃N₂S
Molecular Weight:
236.26
Synonyms:
None
SMILES:
FC(C1=CSC(C2CNCCC2)=N1)(F)F
Tpsa:
24.92
Logp:
2.6289
H Acceptors:
3
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: C₂₅H₃₄F₂O₅
Molecular Weight: 452.53
Synonyms: None
SMILES: O[C@@H]1C[C@H](O)[C@@H](/C=C/C(F)(COC2=CC=CC=C2)F)[C@@H]1C/C=C\CCCC(OC(C)C)=O
Tpsa: 75.99
Logp: 4.683
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 12
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₅H₃₄F₂O₅
Molecular Weight:
452.53
Synonyms:
None
SMILES:
O[C@@H]1C[C@H](O)[C@@H](/C=C/C(F)(COC2=CC=CC=C2)F)[C@@H]1C/C=C\CCCC(OC(C)C)=O
Tpsa:
75.99
Logp:
4.683
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
12
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₁₂O
Molecular Weight: 124.18
Synonyms: None
SMILES: OCC1C2(CC2)C31CC3
Tpsa: 20.23
Logp: 1.1689
H Acceptors: 1
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:
C₈H₁₂O
Molecular Weight:
124.18
Synonyms:
None
SMILES:
OCC1C2(CC2)C31CC3
Tpsa:
20.23
Logp:
1.1689
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
1