CS-0655092
1,4-Anhydro-2,3,5-trideoxy-4-C-(2,4-difluorophenyl)-2-[[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]-5-(1H-1,2,4-triazol-1-yl)-D-erythro-pentitol
Manufacturer: ChemScene
CAS Number: 213381-06-7
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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
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)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: C₇H₅ClN₂
Molecular Weight: 152.58
Synonyms: None
SMILES: N#CC1=CC(Cl)=NC=C1C
Tpsa: 36.68
Logp: 1.9151
H Acceptors: 2
H Donors: 0
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:
C₇H₅ClN₂
Molecular Weight:
152.58
Synonyms:
None
SMILES:
N#CC1=CC(Cl)=NC=C1C
Tpsa:
36.68
Logp:
1.9151
H Acceptors:
2
H Donors:
0
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: 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: 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