CS-0979105
3-(((2S,3R)-2-((R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholino)methyl)-1H-1,2,4-triazol-5(4H)-one Aprepitant impurity
Manufacturer: ChemScene
CAS Number: 1185502-97-9
The price for this product is unavailable. Please request a quote
Purity
≥95%
MDL No
MFCD08277635
Storage
4°C, protect from light
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₂₃H₂₁F₇N₄O₃
Molecular Weight
534.43
Synonyms
None
SMILES
C[C@H](C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)O[C@H](OCC2)[C@@H](C3=CC=C(C=C3)F)N2CC4=NNC(N4)=O
Tpsa
83.24
Logp
4.9521
H Acceptors
5
H Donors
2
Rotatable Bonds
6
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 1185502-97-9 | (1R,2S,3R)-Aprepitant | A2B Chem | ₹ 71,613.72 - ₹ 94,030.44 |
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: ≥95%
MDL No: MFCD08277635
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₃H₂₁F₇N₄O₃
Molecular Weight: 534.43
Synonyms: None
SMILES: C[C@H](C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)O[C@H](OCC2)[C@@H](C3=CC=C(C=C3)F)N2CC4=NNC(N4)=O
Tpsa: 83.24
Logp: 4.9521
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 6
Purity:
≥95%
MDL No:
MFCD08277635
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₃H₂₁F₇N₄O₃
Molecular Weight:
534.43
Synonyms:
None
SMILES:
C[C@H](C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)O[C@H](OCC2)[C@@H](C3=CC=C(C=C3)F)N2CC4=NNC(N4)=O
Tpsa:
83.24
Logp:
4.9521
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: 4°C, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₆O₃
Molecular Weight: 184.23
Synonyms: None
SMILES: O=C(C1(CCOCC1)CC=C)OC
Tpsa: 35.53
Logp: 1.5323
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
4°C, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₆O₃
Molecular Weight:
184.23
Synonyms:
None
SMILES:
O=C(C1(CCOCC1)CC=C)OC
Tpsa:
35.53
Logp:
1.5323
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₀Cl₂O₃
Molecular Weight: 261.10
Synonyms: None
SMILES: O=C(C1(C2=CC(Cl)=CC(Cl)=C2)OCCC1)O
Tpsa: 46.53
Logp: 3.0837
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₀Cl₂O₃
Molecular Weight:
261.10
Synonyms:
None
SMILES:
O=C(C1(C2=CC(Cl)=CC(Cl)=C2)OCCC1)O
Tpsa:
46.53
Logp:
3.0837
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₁₆Cl₂N₂
Molecular Weight: 187.11
Synonyms: None
SMILES: NC1CCNC(C1)C.Cl.Cl
Tpsa: 38.05
Logp: 0.9292
H Acceptors: 2
H Donors: 2
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:
C₆H₁₆Cl₂N₂
Molecular Weight:
187.11
Synonyms:
None
SMILES:
NC1CCNC(C1)C.Cl.Cl
Tpsa:
38.05
Logp:
0.9292
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
0