CS-0378886
(R)-6-((R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-5-(4-fluorophenyl)-3,6-dihydro-2H-1,4-oxazine Aprepitant Impurity
Manufacturer: ChemScene
CAS Number: 380499-07-0
The price for this product is unavailable. Please request a quote
Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₂₀H₁₆F₇NO₂
Molecular Weight
435.34
Synonyms
(2R)-2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-5,6-dihydro-2H-1,4-oxazine
SMILES
FC(C=C1)=CC=C1C2=NCCO[C@@H]2O[C@@H](C3=CC(C(F)(F)F)=CC(C(F)(F)F)=C3)C
Tpsa
30.82
Logp
5.7865
H Acceptors
3
H Donors
0
Rotatable Bonds
4
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 380499-07-0 | (2R)-2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-5,6-dihydro-2H-1,4-oxazine | A2B Chem | -- |
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: C₂₀H₁₆F₇NO₂
Molecular Weight: 435.34
Synonyms: (2R)-2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-5,6-dihydro-2H-1,4-oxazine
SMILES: FC(C=C1)=CC=C1C2=NCCO[C@@H]2O[C@@H](C3=CC(C(F)(F)F)=CC(C(F)(F)F)=C3)C
Tpsa: 30.82
Logp: 5.7865
H Acceptors: 3
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:
C₂₀H₁₆F₇NO₂
Molecular Weight:
435.34
Synonyms:
(2R)-2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-5,6-dihydro-2H-1,4-oxazine
SMILES:
FC(C=C1)=CC=C1C2=NCCO[C@@H]2O[C@@H](C3=CC(C(F)(F)F)=CC(C(F)(F)F)=C3)C
Tpsa:
30.82
Logp:
5.7865
H Acceptors:
3
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: C₁₉H₂₇NO₃
Molecular Weight: 317.42
Synonyms: Ipratropium Bromide Impurity 5
SMILES: CC(N1[C@@H]2C[C@H](C[C@H]1CC2)OC([C@@H](C3=CC=CC=C3)CO)=O)C
Tpsa: 49.77
Logp: 2.7095
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₉H₂₇NO₃
Molecular Weight:
317.42
Synonyms:
Ipratropium Bromide Impurity 5
SMILES:
CC(N1[C@@H]2C[C@H](C[C@H]1CC2)OC([C@@H](C3=CC=CC=C3)CO)=O)C
Tpsa:
49.77
Logp:
2.7095
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₂₀Br₂O₃
Molecular Weight: 492.20
Synonyms: None
SMILES: BrC(Br)C(O)C1=CC(OCC2=CC=CC=C2)=CC(OCC3=CC=CC=C3)=C1
Tpsa: 38.69
Logp: 5.9939
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₂₀Br₂O₃
Molecular Weight:
492.20
Synonyms:
None
SMILES:
BrC(Br)C(O)C1=CC(OCC2=CC=CC=C2)=CC(OCC3=CC=CC=C3)=C1
Tpsa:
38.69
Logp:
5.9939
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
8
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₀H₂₈NO₂+
Molecular Weight: 314.44
Synonyms: None
SMILES: CC([N@@+]1(C)[C@@H]2C[C@H](C[C@H]1CC2)OC(C(C3=CC=CC=C3)=C)=O)C
Tpsa: 26.3
Logp: 3.7914
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:
C₂₀H₂₈NO₂+
Molecular Weight:
314.44
Synonyms:
None
SMILES:
CC([N@@+]1(C)[C@@H]2C[C@H](C[C@H]1CC2)OC(C(C3=CC=CC=C3)=C)=O)C
Tpsa:
26.3
Logp:
3.7914
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
4