CS-0655114
1,4-Anhydro-2,3,5-trideoxy-4-C-(2,4-difluorophenyl)-2-[[4-[4-[4-[1-[(1S,2S)-1-ethyl-2-hydroxypropyl]-1,5-dihydro-5-oxo-4H-1,2,4-triazol-4-yl]phenyl]-1-piperazinyl]phenoxy]methyl]-5-(1H-1,2,4-triazol-1-yl)-D-erythro-pentitol
Manufacturer: ChemScene
CAS Number: 213381-02-3
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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
C₃₇H₄₂F₂N₈O₄
Molecular Weight
700.78
Synonyms
None
SMILES
FC(C=C1F)=CC=C1[C@]2(C[C@@H](COC3=CC=C(N4CCN(C5=CC=C(N6C=NN([C@@H](CC)[C@@H](O)C)C6=O)C=C5)CC4)C=C3)CO2)CN7N=CN=C7
Tpsa
115.7
Logp
4.5732
H Acceptors
12
H Donors
1
Rotatable Bonds
12
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 213381-02-3 | Posaconazole Diastereoisomer (S,R,S,S) | A2B Chem | -- |
SAFETY INFORMATION
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: C₃₇H₄₂F₂N₈O₄
Molecular Weight: 700.78
Synonyms: None
SMILES: FC(C=C1F)=CC=C1[C@]2(C[C@@H](COC3=CC=C(N4CCN(C5=CC=C(N6C=NN([C@@H](CC)[C@@H](O)C)C6=O)C=C5)CC4)C=C3)CO2)CN7N=CN=C7
Tpsa: 115.7
Logp: 4.5732
H Acceptors: 12
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:
C₃₇H₄₂F₂N₈O₄
Molecular Weight:
700.78
Synonyms:
None
SMILES:
FC(C=C1F)=CC=C1[C@]2(C[C@@H](COC3=CC=C(N4CCN(C5=CC=C(N6C=NN([C@@H](CC)[C@@H](O)C)C6=O)C=C5)CC4)C=C3)CO2)CN7N=CN=C7
Tpsa:
115.7
Logp:
4.5732
H Acceptors:
12
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: C₁₄H₁₈O₄
Molecular Weight: 250.29
Synonyms: None
SMILES: COC(C=C1)=CC=C1CO[C@H](C=C)[C@@H]([C@@]2([H])CO2)O
Tpsa: 51.22
Logp: 1.5261
H Acceptors: 4
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:
C₁₄H₁₈O₄
Molecular Weight:
250.29
Synonyms:
None
SMILES:
COC(C=C1)=CC=C1CO[C@H](C=C)[C@@H]([C@@]2([H])CO2)O
Tpsa:
51.22
Logp:
1.5261
H Acceptors:
4
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: C₂₆H₃₅F₃O₆
Molecular Weight: 500.55
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@@H](O)COC2=CC(C(F)(F)F)=CC=C2)=O
Tpsa: 96.22
Logp: 4.4274
H Acceptors: 6
H Donors: 3
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:
C₂₆H₃₅F₃O₆
Molecular Weight:
500.55
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@@H](O)COC2=CC(C(F)(F)F)=CC=C2)=O
Tpsa:
96.22
Logp:
4.4274
H Acceptors:
6
H Donors:
3
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: C₂₆H₄₀O₅
Molecular Weight: 432.59
Synonyms: None
SMILES: CC(C)OC(CCC/C=C/C[C@@H]1[C@H]([C@@H](C[C@@H]1O)O)CC[C@@H](O)CCC2=CC=CC=C2)=O
Tpsa: 86.99
Logp: 4.1864
H Acceptors: 5
H Donors: 3
Rotatable Bonds: 13
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₆H₄₀O₅
Molecular Weight:
432.59
Synonyms:
None
SMILES:
CC(C)OC(CCC/C=C/C[C@@H]1[C@H]([C@@H](C[C@@H]1O)O)CC[C@@H](O)CCC2=CC=CC=C2)=O
Tpsa:
86.99
Logp:
4.1864
H Acceptors:
5
H Donors:
3
Rotatable Bonds:
13