CS-0655200
(2S)-3-(4-(4-(4-(4-(((3R,5R)-5-((1H-1,2,4-Triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methoxy)phenyl)piperazin-1-yl)phenyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl)pentan-2-ol
Manufacturer: ChemScene
CAS Number: None
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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
C₃₇H₄₄F₂N₈O₃
Molecular Weight
686.79
Synonyms
None
SMILES
FC1=CC(F)=C([C@]2(CN3C=NC=N3)OC[C@@H](COC4=CC=C(N5CCN(C6=CC=C(N7C=NN(C([C@@H](O)C)CC)C7)C=C6)CC5)C=C4)C2)C=C1
Tpsa
94.72
Logp
5.0761
H Acceptors
11
H Donors
1
Rotatable Bonds
12
Other Options
...
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: C₃₇H₄₄F₂N₈O₃
Molecular Weight: 686.79
Synonyms: None
SMILES: FC1=CC(F)=C([C@]2(CN3C=NC=N3)OC[C@@H](COC4=CC=C(N5CCN(C6=CC=C(N7C=NN(C([C@@H](O)C)CC)C7)C=C6)CC5)C=C4)C2)C=C1
Tpsa: 94.72
Logp: 5.0761
H Acceptors: 11
H Donors: 1
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:
C₃₇H₄₄F₂N₈O₃
Molecular Weight:
686.79
Synonyms:
None
SMILES:
FC1=CC(F)=C([C@]2(CN3C=NC=N3)OC[C@@H](COC4=CC=C(N5CCN(C6=CC=C(N7C=NN(C([C@@H](O)C)CC)C7)C=C6)CC5)C=C4)C2)C=C1
Tpsa:
94.72
Logp:
5.0761
H Acceptors:
11
H Donors:
1
Rotatable Bonds:
12
Purity: 98%
MDL No: None
Storage: -20°C, protect from light, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₇H₄₄O₂
Molecular Weight: 400.64
Synonyms: None
SMILES: C[C@@]12[C@](CC[C@@H]2[C@@H](CCCC(C)C)C)([H])/C(CCC1)=C/C=C3C[C@@H](O)C[C@@H](O)C/3=C
Tpsa: 40.46
Logp: 6.5898
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
-20°C, protect from light, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₇H₄₄O₂
Molecular Weight:
400.64
Synonyms:
None
SMILES:
C[C@@]12[C@](CC[C@@H]2[C@@H](CCCC(C)C)C)([H])/C(CCC1)=C/C=C3C[C@@H](O)C[C@@H](O)C/3=C
Tpsa:
40.46
Logp:
6.5898
H Acceptors:
2
H Donors:
2
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: C₉H₁₃BrN₂S
Molecular Weight: 261.18
Synonyms: None
SMILES: CC1=C(Br)SC(C2CNCCC2)=N1
Tpsa: 24.92
Logp: 2.68102
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:
C₉H₁₃BrN₂S
Molecular Weight:
261.18
Synonyms:
None
SMILES:
CC1=C(Br)SC(C2CNCCC2)=N1
Tpsa:
24.92
Logp:
2.68102
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: 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