CS-0655047
2,5-Anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[4-[4-[4-[1-[(1S,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: 171228-51-6
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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]5CO[C@@](CN6C=NC=N6)(C7=CC=C(F)C=C7F)C5)C=C4
Tpsa
115.7
Logp
4.5732
H Acceptors
12
H Donors
1
Rotatable Bonds
12
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]5CO[C@@](CN6C=NC=N6)(C7=CC=C(F)C=C7F)C5)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]5CO[C@@](CN6C=NC=N6)(C7=CC=C(F)C=C7F)C5)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: C₁₁H₁₅NO₄
Molecular Weight: 225.24
Synonyms: None
SMILES: COC([C@@](C)(N)CC1=CC(O)=C(C=C1)O)=O
Tpsa: 92.78
Logp: 0.5307
H Acceptors: 5
H Donors: 3
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₅NO₄
Molecular Weight:
225.24
Synonyms:
None
SMILES:
COC([C@@](C)(N)CC1=CC(O)=C(C=C1)O)=O
Tpsa:
92.78
Logp:
0.5307
H Acceptors:
5
H Donors:
3
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₃H₅₃O₃PSSi₂
Molecular Weight: 616.98
Synonyms: None
SMILES: C[Si](C(C)(C)C)(C)O[C@@H](C[C@H](O[Si](C)(C)C(C)(C)C)C/1)CC1=C\CSCP(C2=CC=CC=C2)(C3=CC=CC=C3)=O
Tpsa: 35.53
Logp: 9.5823
H Acceptors: 4
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:
C₃₃H₅₃O₃PSSi₂
Molecular Weight:
616.98
Synonyms:
None
SMILES:
C[Si](C(C)(C)C)(C)O[C@@H](C[C@H](O[Si](C)(C)C(C)(C)C)C/1)CC1=C\CSCP(C2=CC=CC=C2)(C3=CC=CC=C3)=O
Tpsa:
35.53
Logp:
9.5823
H Acceptors:
4
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: C₄₂H₇₁O₅PSi₃
Molecular Weight: 771.24
Synonyms: None
SMILES: C=C([C@@H](OCCCO[Si](C)(C(C)(C)C)C)[C@H](O[Si](C)(C(C)(C)C)C)[C@H](O[Si](C)(C(C)(C)C)C)C/1)C1=C/CP(C2=CC=CC=C2)(C3=CC=CC=C3)=O
Tpsa: 53.99
Logp: 11.4647
H Acceptors: 5
H Donors: 0
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:
C₄₂H₇₁O₅PSi₃
Molecular Weight:
771.24
Synonyms:
None
SMILES:
C=C([C@@H](OCCCO[Si](C)(C(C)(C)C)C)[C@H](O[Si](C)(C(C)(C)C)C)[C@H](O[Si](C)(C(C)(C)C)C)C/1)C1=C/CP(C2=CC=CC=C2)(C3=CC=CC=C3)=O
Tpsa:
53.99
Logp:
11.4647
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
14