CS-0379741
3-(((2R,3S)-2-((R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4'-fluoro-[1,1'-biphenyl]-3-yl)morpholino)methyl)-1H-1,2,4-triazol-5(4H)-one Aprepitant Impurity
Manufacturer: ChemScene
CAS Number: 2348441-62-1
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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
C₂₉H₂₅F₇N₄O₃
Molecular Weight
610.52
Synonyms
Tme8PY9fmy
SMILES
C[C@H](C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)O[C@@H](OCC2)[C@@](C3=CC(C4=CC=C(C=C4)F)=CC=C3)([H])N2CC5=NNC(N5)=O
Tpsa
83.24
Logp
6.6191
H Acceptors
5
H Donors
2
Rotatable Bonds
7
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | Aprepitant EP Impurity B | Aaron Chemicals LLC | -- |
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: C₂₉H₂₅F₇N₄O₃
Molecular Weight: 610.52
Synonyms: Tme8PY9fmy
SMILES: C[C@H](C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)O[C@@H](OCC2)[C@@](C3=CC(C4=CC=C(C=C4)F)=CC=C3)([H])N2CC5=NNC(N5)=O
Tpsa: 83.24
Logp: 6.6191
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₉H₂₅F₇N₄O₃
Molecular Weight:
610.52
Synonyms:
Tme8PY9fmy
SMILES:
C[C@H](C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)O[C@@H](OCC2)[C@@](C3=CC(C4=CC=C(C=C4)F)=CC=C3)([H])N2CC5=NNC(N5)=O
Tpsa:
83.24
Logp:
6.6191
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₂₂ClNO
Molecular Weight: 291.82
Synonyms: None
SMILES: CC(C=C1)=CC=C1O[C@@H](C2=CC=CC=C2)CCNC.Cl
Tpsa: 21.26
Logp: 4.14642
H Acceptors: 2
H Donors: 1
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:
C₁₇H₂₂ClNO
Molecular Weight:
291.82
Synonyms:
None
SMILES:
CC(C=C1)=CC=C1O[C@@H](C2=CC=CC=C2)CCNC.Cl
Tpsa:
21.26
Logp:
4.14642
H Acceptors:
2
H Donors:
1
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: C₁₇H₁₃BrO₃
Molecular Weight: 345.19
Synonyms: (3-Bromo-4-hydroxyphenyl)(2-ethylbenzofuran-3-yl)methanone
SMILES: O=C(C1=C(CC)OC2=C1C=CC=C2)C3=CC=C(C(Br)=C3)O
Tpsa: 50.44
Logp: 4.6943
H Acceptors: 3
H Donors: 1
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:
C₁₇H₁₃BrO₃
Molecular Weight:
345.19
Synonyms:
(3-Bromo-4-hydroxyphenyl)(2-ethylbenzofuran-3-yl)methanone
SMILES:
O=C(C1=C(CC)OC2=C1C=CC=C2)C3=CC=C(C(Br)=C3)O
Tpsa:
50.44
Logp:
4.6943
H Acceptors:
3
H Donors:
1
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: C₁₁H₁₉N₃S
Molecular Weight: 225.35
Synonyms: None
SMILES: CCCN[C@@H]1CC2=C(CC1)N=C(S2)NC
Tpsa: 36.95
Logp: 2.0417
H Acceptors: 4
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:
C₁₁H₁₉N₃S
Molecular Weight:
225.35
Synonyms:
None
SMILES:
CCCN[C@@H]1CC2=C(CC1)N=C(S2)NC
Tpsa:
36.95
Logp:
2.0417
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
4