CS-1002018
Aprepitant Impurity 43
Manufacturer: ChemScene
CAS Number: 172673-70-0
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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
C₂₃H₂₁F₇N₄O₃
Molecular Weight
534.43
Synonyms
None
SMILES
C(N1[C@H]([C@@H](O[C@H](C)C2=CC(C(F)(F)F)=C(F)C(C(F)(F)F)=C2)OCC1)C3=CC=CC=C3)C4=NNC(=O)N4
Tpsa
83.24
Logp
4.9521
H Acceptors
5
H Donors
2
Rotatable Bonds
6
Related Products
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: C₂₃H₂₁F₇N₄O₃
Molecular Weight: 534.43
Synonyms: None
SMILES: C(N1[C@H]([C@@H](O[C@H](C)C2=CC(C(F)(F)F)=C(F)C(C(F)(F)F)=C2)OCC1)C3=CC=CC=C3)C4=NNC(=O)N4
Tpsa: 83.24
Logp: 4.9521
H Acceptors: 5
H Donors: 2
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:
C₂₃H₂₁F₇N₄O₃
Molecular Weight:
534.43
Synonyms:
None
SMILES:
C(N1[C@H]([C@@H](O[C@H](C)C2=CC(C(F)(F)F)=C(F)C(C(F)(F)F)=C2)OCC1)C3=CC=CC=C3)C4=NNC(=O)N4
Tpsa:
83.24
Logp:
4.9521
H Acceptors:
5
H Donors:
2
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: C₂₃H₂₁F₇N₄O₃
Molecular Weight: 534.43
Synonyms: None
SMILES: C(N1[C@H]([C@@H](O[C@H](C)C2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)OCC1)C3=CC(F)=CC=C3)C4=NNC(=O)N4
Tpsa: 83.24
Logp: 4.9521
H Acceptors: 5
H Donors: 2
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:
C₂₃H₂₁F₇N₄O₃
Molecular Weight:
534.43
Synonyms:
None
SMILES:
C(N1[C@H]([C@@H](O[C@H](C)C2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)OCC1)C3=CC(F)=CC=C3)C4=NNC(=O)N4
Tpsa:
83.24
Logp:
4.9521
H Acceptors:
5
H Donors:
2
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: C₁₆H₂₂O₂
Molecular Weight: 246.34
Synonyms: None
SMILES: O=C1OC(C=2C=CC=CC12)(CCCC)CCCC
Tpsa: 26.3
Logp: 4.4327
H Acceptors: 2
H Donors: 0
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:
C₁₆H₂₂O₂
Molecular Weight:
246.34
Synonyms:
None
SMILES:
O=C1OC(C=2C=CC=CC12)(CCCC)CCCC
Tpsa:
26.3
Logp:
4.4327
H Acceptors:
2
H Donors:
0
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: C₈H₁₄O₂
Molecular Weight: 142.20
Synonyms: None
SMILES: C(C(C)C)[C@@H]1CC(=O)OC1
Tpsa: 26.3
Logp: 1.5956
H Acceptors: 2
H Donors: 0
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:
C₈H₁₄O₂
Molecular Weight:
142.20
Synonyms:
None
SMILES:
C(C(C)C)[C@@H]1CC(=O)OC1
Tpsa:
26.3
Logp:
1.5956
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
2