CS-0379754
(2R,3R)-2-((S)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholine hydrochloride Aprepitant Impurity
Manufacturer: ChemScene
CAS Number: 1333998-21-2
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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
C₂₀H₁₉ClF₇NO₂
Molecular Weight
473.81
Synonyms
None
SMILES
C[C@@H](C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)O[C@@H]2[C@](C3=CC=C(C=C3)F)([H])NCCO2.Cl
Tpsa
30.49
Logp
6.0499
H Acceptors
3
H Donors
1
Rotatable Bonds
4
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 1333998-21-2 | Des-1,2,4-triazol-3-one-5-methyl (2R,3R,2-(S))-Aprepitant Hydrochloride | 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: C₂₀H₁₉ClF₇NO₂
Molecular Weight: 473.81
Synonyms: None
SMILES: C[C@@H](C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)O[C@@H]2[C@](C3=CC=C(C=C3)F)([H])NCCO2.Cl
Tpsa: 30.49
Logp: 6.0499
H Acceptors: 3
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:
C₂₀H₁₉ClF₇NO₂
Molecular Weight:
473.81
Synonyms:
None
SMILES:
C[C@@H](C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)O[C@@H]2[C@](C3=CC=C(C=C3)F)([H])NCCO2.Cl
Tpsa:
30.49
Logp:
6.0499
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
4
Purity: 98%
MDL No: MFCD23135611
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₂N₂O₄
Molecular Weight: 236.22
Synonyms: (2S)-2-Amino-4-(2-formamidophenyl)-4-oxobutanoic acid
SMILES: OC([C@@H](N)CC(C1=C(C=CC=C1)NC=O)=O)=O
Tpsa: 109.49
Logp: 0.2396
H Acceptors: 4
H Donors: 3
Rotatable Bonds: 6
Purity:
98%
MDL No:
MFCD23135611
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₂N₂O₄
Molecular Weight:
236.22
Synonyms:
(2S)-2-Amino-4-(2-formamidophenyl)-4-oxobutanoic acid
SMILES:
OC([C@@H](N)CC(C1=C(C=CC=C1)NC=O)=O)=O
Tpsa:
109.49
Logp:
0.2396
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: C₂₀H₂₀ClF₆NO₂
Molecular Weight: 455.82
Synonyms: Morpholine, 2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenyl-, hydrochloride , (2R,3S)
SMILES: C[C@H](C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)O[C@@H]2[C@@](C3=CC=CC=C3)([H])NCCO2.Cl
Tpsa: 30.49
Logp: 5.9108
H Acceptors: 3
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:
C₂₀H₂₀ClF₆NO₂
Molecular Weight:
455.82
Synonyms:
Morpholine, 2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-phenyl-, hydrochloride , (2R,3S)
SMILES:
C[C@H](C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)O[C@@H]2[C@@](C3=CC=CC=C3)([H])NCCO2.Cl
Tpsa:
30.49
Logp:
5.9108
H Acceptors:
3
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: C₂₆H₂₂
Molecular Weight: 334.45
Synonyms: 1,1,2,2-Tetraphenylethane
SMILES: C1(C(C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)=CC=CC=C1
Tpsa: 0
Logp: 6.6506
H Acceptors: 0
H Donors: 0
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:
C₂₆H₂₂
Molecular Weight:
334.45
Synonyms:
1,1,2,2-Tetraphenylethane
SMILES:
C1(C(C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)=CC=CC=C1
Tpsa:
0
Logp:
6.6506
H Acceptors:
0
H Donors:
0
Rotatable Bonds:
5