CS-1002523
(3aR,4R,5R,6aS)-5-(Benzoyloxy)hexahydro-4-[(1E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-2H-cyclopenta[b]furan-2-one
Manufacturer: ChemScene
CAS Number: 208114-58-3
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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
C₂₅H₂₃F₃O₆
Molecular Weight
476.44
Synonyms
None
SMILES
C(=C/[C@H](COC1=CC(C(F)(F)F)=CC=C1)O)\[C@@H]2[C@@]3([C@](C[C@H]2OC(=O)C4=CC=CC=C4)(OC(=O)C3)[H])[H]
Tpsa
82.06
Logp
4.1785
H Acceptors
6
H Donors
1
Rotatable Bonds
7
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: C₂₅H₂₃F₃O₆
Molecular Weight: 476.44
Synonyms: None
SMILES: C(=C/[C@H](COC1=CC(C(F)(F)F)=CC=C1)O)\[C@@H]2[C@@]3([C@](C[C@H]2OC(=O)C4=CC=CC=C4)(OC(=O)C3)[H])[H]
Tpsa: 82.06
Logp: 4.1785
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₅H₂₃F₃O₆
Molecular Weight:
476.44
Synonyms:
None
SMILES:
C(=C/[C@H](COC1=CC(C(F)(F)F)=CC=C1)O)\[C@@H]2[C@@]3([C@](C[C@H]2OC(=O)C4=CC=CC=C4)(OC(=O)C3)[H])[H]
Tpsa:
82.06
Logp:
4.1785
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₁₄ClF₃N₄O₅
Molecular Weight: 458.78
Synonyms: None
SMILES: O=C(O)C1=CN(C2=NC(N)=C(F)C=C2F)C3=C(Cl)C(NCC(O)CO)=C(F)C=C3C1=O
Tpsa: 150.7
Logp: 1.5019
H Acceptors: 8
H Donors: 5
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:
C₁₈H₁₄ClF₃N₄O₅
Molecular Weight:
458.78
Synonyms:
None
SMILES:
O=C(O)C1=CN(C2=NC(N)=C(F)C=C2F)C3=C(Cl)C(NCC(O)CO)=C(F)C=C3C1=O
Tpsa:
150.7
Logp:
1.5019
H Acceptors:
8
H Donors:
5
Rotatable Bonds:
6
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₂₇N₃O₃
Molecular Weight: 285.38
Synonyms: None
SMILES: N(C(OC(C)(C)C)=O)[C@@H]1C[C@H](C(N(C)C)=O)CC[C@@H]1N
Tpsa: 84.66
Logp: 1.0953
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 2
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₂₇N₃O₃
Molecular Weight:
285.38
Synonyms:
None
SMILES:
N(C(OC(C)(C)C)=O)[C@@H]1C[C@H](C(N(C)C)=O)CC[C@@H]1N
Tpsa:
84.66
Logp:
1.0953
H Acceptors:
4
H Donors:
2
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: C₄H₉N₃O₆
Molecular Weight: 195.13
Synonyms: None
SMILES: O=N(=O)OCCNCCON(=O)=O
Tpsa: 116.77
Logp: -1.0074
H Acceptors: 7
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:
C₄H₉N₃O₆
Molecular Weight:
195.13
Synonyms:
None
SMILES:
O=N(=O)OCCNCCON(=O)=O
Tpsa:
116.77
Logp:
-1.0074
H Acceptors:
7
H Donors:
1
Rotatable Bonds:
8