CS-0654985
2,5-Anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[4-[4-[4-[1-[(1R,2R)-1-ethyl-2-hydroxypropyl]-1,5-dihydro-5-oxo-4H-1,2,4-triazol-4-yl]phenyl]-1-piperazinyl]phenoxy]methyl]-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol
Manufacturer: ChemScene
CAS Number: 170985-61-2
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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
C[C@@H](O)[C@@H](CC)N(C1=O)N=CN1C(C=C2)=CC=C2N(CC3)CCN3C4=CC=C(OC[C@H]5C[C@@](C6=CC=C(F)C=C6F)(CN7C=NC=N7)OC5)C=C4
Tpsa
115.7
Logp
4.5732
H Acceptors
12
H Donors
1
Rotatable Bonds
12
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 170985-61-2 | Posaconazole Diastereoisomer 1 (R,R,R,R) | A2B Chem | ₹ 97,722.00 |
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: C[C@@H](O)[C@@H](CC)N(C1=O)N=CN1C(C=C2)=CC=C2N(CC3)CCN3C4=CC=C(OC[C@H]5C[C@@](C6=CC=C(F)C=C6F)(CN7C=NC=N7)OC5)C=C4
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:
C[C@@H](O)[C@@H](CC)N(C1=O)N=CN1C(C=C2)=CC=C2N(CC3)CCN3C4=CC=C(OC[C@H]5C[C@@](C6=CC=C(F)C=C6F)(CN7C=NC=N7)OC5)C=C4
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: C₂₆H₄₂O₄
Molecular Weight: 418.61
Synonyms: None
SMILES: O[C@@H]1C[C@H](O)C(/C(C1)=C\C=C2[C@]3([H])CC[C@H]([C@@H](OCCC(C)(O)C)C)[C@@]3(C)CCC\2)=C
Tpsa: 69.92
Logp: 4.6935
H Acceptors: 4
H Donors: 3
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:
C₂₆H₄₂O₄
Molecular Weight:
418.61
Synonyms:
None
SMILES:
O[C@@H]1C[C@H](O)C(/C(C1)=C\C=C2[C@]3([H])CC[C@H]([C@@H](OCCC(C)(O)C)C)[C@@]3(C)CCC\2)=C
Tpsa:
69.92
Logp:
4.6935
H Acceptors:
4
H Donors:
3
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: C₁₄H₁₉NO₂
Molecular Weight: 233.31
Synonyms: None
SMILES: C[C@@H](OCC1=CC=CC=C1)C(N2CCCC2)=O
Tpsa: 29.54
Logp: 2.2141
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₉NO₂
Molecular Weight:
233.31
Synonyms:
None
SMILES:
C[C@@H](OCC1=CC=CC=C1)C(N2CCCC2)=O
Tpsa:
29.54
Logp:
2.2141
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₆H₄₂O₄
Molecular Weight: 418.61
Synonyms: None
SMILES: O[C@H]1C[C@H](O)C(/C(C1)=C\C=C2[C@]3([H])CC[C@H]([C@H](OCCC(C)(O)C)C)[C@@]3(C)CCC\2)=C
Tpsa: 69.92
Logp: 4.6935
H Acceptors: 4
H Donors: 3
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:
C₂₆H₄₂O₄
Molecular Weight:
418.61
Synonyms:
None
SMILES:
O[C@H]1C[C@H](O)C(/C(C1)=C\C=C2[C@]3([H])CC[C@H]([C@H](OCCC(C)(O)C)C)[C@@]3(C)CCC\2)=C
Tpsa:
69.92
Logp:
4.6935
H Acceptors:
4
H Donors:
3
Rotatable Bonds:
6