CS-0655132
2,5-Anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[4-[4-[4-[1-[(1R,2S)-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-erythro-pentitol
Manufacturer: ChemScene
CAS Number: 1229428-90-3
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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
C[C@H](O)[C@@H](CC)N(C1=O)N=CN1C(C=C2)=CC=C2N(CC3)CCN3C(C=C4)=CC=C4OC[C@H]5C[C@](C6=CC=C(F)C=C6F)(CN7C=NC=N7)OC5
Tpsa
115.7
Logp
4.5732
H Acceptors
12
H Donors
1
Rotatable Bonds
12
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: 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)CCN3C(C=C4)=CC=C4OC[C@H]5C[C@](C6=CC=C(F)C=C6F)(CN7C=NC=N7)OC5
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)CCN3C(C=C4)=CC=C4OC[C@H]5C[C@](C6=CC=C(F)C=C6F)(CN7C=NC=N7)OC5
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: C₁₉H₃₈O₂Si
Molecular Weight: 326.59
Synonyms: None
SMILES: C[C@@]12[C@](CC[C@]2([H])[C@@H](C)CO)([H])[C@H](CCC1)O[Si](C)(C)C(C)(C)C
Tpsa: 29.46
Logp: 5.2216
H Acceptors: 2
H Donors: 1
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:
C₁₉H₃₈O₂Si
Molecular Weight:
326.59
Synonyms:
None
SMILES:
C[C@@]12[C@](CC[C@]2([H])[C@@H](C)CO)([H])[C@H](CCC1)O[Si](C)(C)C(C)(C)C
Tpsa:
29.46
Logp:
5.2216
H Acceptors:
2
H Donors:
1
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: C₅H₁₁ClFN
Molecular Weight: 139.60
Synonyms: None
SMILES: N[C@@H]1C[C@@H](CC1)F.Cl
Tpsa: 26.02
Logp: 1.2575
H Acceptors: 1
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅H₁₁ClFN
Molecular Weight:
139.60
Synonyms:
None
SMILES:
N[C@@H]1C[C@@H](CC1)F.Cl
Tpsa:
26.02
Logp:
1.2575
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₃F₂N₃O₂
Molecular Weight: 269.25
Synonyms: None
SMILES: O[C@H](C)[C@@](C1=CC(F)=CC=C1F)(O)CN2C=NC=N2
Tpsa: 71.17
Logp: 0.8249
H Acceptors: 5
H Donors: 2
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:
C₁₂H₁₃F₂N₃O₂
Molecular Weight:
269.25
Synonyms:
None
SMILES:
O[C@H](C)[C@@](C1=CC(F)=CC=C1F)(O)CN2C=NC=N2
Tpsa:
71.17
Logp:
0.8249
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
4