CS-0914076
1,1'-(((2R,2'R,4R,4'R)-4,4'-(oxybis(methylene))bis(2-(2,4-difluoro phenyl)tetrahydrofuran-4,2-diyl))bis(methylene))bis(1H-1,2,4-triazole)
Manufacturer: ChemScene
CAS Number: 2256739-22-5
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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
C₂₈H₂₈F₄N₆O₃
Molecular Weight
572.55
Synonyms
None
SMILES
C([C@@]1(C[C@H](COC[C@H]2C[C@@](CN3C=NC=N3)(OC2)C4=C(F)C=C(F)C=C4)CO1)C5=C(F)C=C(F)C=C5)N6C=NC=N6
Tpsa
89.11
Logp
4.0068
H Acceptors
9
H Donors
0
Rotatable Bonds
10
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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: C₂₈H₂₈F₄N₆O₃
Molecular Weight: 572.55
Synonyms: None
SMILES: C([C@@]1(C[C@H](COC[C@H]2C[C@@](CN3C=NC=N3)(OC2)C4=C(F)C=C(F)C=C4)CO1)C5=C(F)C=C(F)C=C5)N6C=NC=N6
Tpsa: 89.11
Logp: 4.0068
H Acceptors: 9
H Donors: 0
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₈H₂₈F₄N₆O₃
Molecular Weight:
572.55
Synonyms:
None
SMILES:
C([C@@]1(C[C@H](COC[C@H]2C[C@@](CN3C=NC=N3)(OC2)C4=C(F)C=C(F)C=C4)CO1)C5=C(F)C=C(F)C=C5)N6C=NC=N6
Tpsa:
89.11
Logp:
4.0068
H Acceptors:
9
H Donors:
0
Rotatable Bonds:
10
Purity: 97%
MDL No: MFCD10000541
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₃F₂IO₂
Molecular Weight: 354.13
Synonyms: None
SMILES: C(I)[C@@]1(C[C@H](CO)CO1)C2=C(F)C=C(F)C=C2
Tpsa: N/A
Logp: N/A
H Acceptors: N/A
H Donors: N/A
Rotatable Bonds: N/A
Purity:
97%
MDL No:
MFCD10000541
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₃F₂IO₂
Molecular Weight:
354.13
Synonyms:
None
SMILES:
C(I)[C@@]1(C[C@H](CO)CO1)C2=C(F)C=C(F)C=C2
Tpsa:
N/A
Logp:
N/A
H Acceptors:
N/A
H Donors:
N/A
Rotatable Bonds:
N/A
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₄H₄₉F₂N₈O₄+
Molecular Weight: 791.91
Synonyms: None
SMILES: C([C@@]1(C[C@H](COC2=CC=C(C=C2)[N+]3(CC4=CC=CC=C4)CCN(CC3)C5=CC=C(C=C5)N6C(=O)N([C@H]([C@H](C)O)CC)N=C6)CO1)C7=C(F)C=C(F)C=C7)N8C=NC=N8
Tpsa: 112.46
Logp: 6.2743
H Acceptors: 11
H Donors: 1
Rotatable Bonds: 14
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₄H₄₉F₂N₈O₄+
Molecular Weight:
791.91
Synonyms:
None
SMILES:
C([C@@]1(C[C@H](COC2=CC=C(C=C2)[N+]3(CC4=CC=CC=C4)CCN(CC3)C5=CC=C(C=C5)N6C(=O)N([C@H]([C@H](C)O)CC)N=C6)CO1)C7=C(F)C=C(F)C=C7)N8C=NC=N8
Tpsa:
112.46
Logp:
6.2743
H Acceptors:
11
H Donors:
1
Rotatable Bonds:
14
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₀H₂₄N₂O₃
Molecular Weight: 340.42
Synonyms: None
SMILES: C(O)(=O)[C@@]1(O)N2C=3[C@@]4([C@](CC)(C1)CCCN4CCC3C=5C2=CC=CC5)[H]
Tpsa: 65.7
Logp: 2.8641
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:
C₂₀H₂₄N₂O₃
Molecular Weight:
340.42
Synonyms:
None
SMILES:
C(O)(=O)[C@@]1(O)N2C=3[C@@]4([C@](CC)(C1)CCCN4CCC3C=5C2=CC=CC5)[H]
Tpsa:
65.7
Logp:
2.8641
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
2