CS-0915168
Fosaprepitant Impurity 6
Manufacturer: ChemScene
CAS Number: 327623-34-7
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Purity
95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₂₁H₁₉F₆NO₃
Molecular Weight
447.37
Synonyms
None
SMILES
[C@H](O[C@H]1C(=O)N(CC2=CC=CC=C2)CCO1)(C)C3=CC(C(F)(F)F)=CC(C(F)(F)F)=C3
Tpsa
38.77
Logp
5.1869
H Acceptors
3
H Donors
0
Rotatable Bonds
5
Related Products
SAFETY INFORMATION
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: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₁H₁₉F₆NO₃
Molecular Weight: 447.37
Synonyms: None
SMILES: [C@H](O[C@H]1C(=O)N(CC2=CC=CC=C2)CCO1)(C)C3=CC(C(F)(F)F)=CC(C(F)(F)F)=C3
Tpsa: 38.77
Logp: 5.1869
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 5
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₁₉F₆NO₃
Molecular Weight:
447.37
Synonyms:
None
SMILES:
[C@H](O[C@H]1C(=O)N(CC2=CC=CC=C2)CCO1)(C)C3=CC(C(F)(F)F)=CC(C(F)(F)F)=C3
Tpsa:
38.77
Logp:
5.1869
H Acceptors:
3
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: C₃₀H₂₈F₇N₄O₆P
Molecular Weight: 704.53
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=C(F)C=C3)C4=NN(P(OCC5=CC=CC=C5)(=O)O)C(=O)N4
Tpsa: 118.91
Logp: 6.5908
H Acceptors: 8
H Donors: 2
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₀H₂₈F₇N₄O₆P
Molecular Weight:
704.53
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=C(F)C=C3)C4=NN(P(OCC5=CC=CC=C5)(=O)O)C(=O)N4
Tpsa:
118.91
Logp:
6.5908
H Acceptors:
8
H Donors:
2
Rotatable Bonds:
10
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₂₅ClF₂N₄O₃
Molecular Weight: 466.91
Synonyms: None
SMILES: Cl.FC1=CC=C(C=C1F)NC=2N=CN=C3C=C(OC)C(OCCCN4CCOCC4)=CC32
Tpsa: 68.74
Logp: 4.1831
H Acceptors: 7
H Donors: 1
Rotatable Bonds: 8
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₂₅ClF₂N₄O₃
Molecular Weight:
466.91
Synonyms:
None
SMILES:
Cl.FC1=CC=C(C=C1F)NC=2N=CN=C3C=C(OC)C(OCCCN4CCOCC4)=CC32
Tpsa:
68.74
Logp:
4.1831
H Acceptors:
7
H Donors:
1
Rotatable Bonds:
8
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄H₈N₂O₃
Molecular Weight: 132.12
Synonyms: None
SMILES: O=C(OC(=O)CN)CN
Tpsa: 95.41
Logp: -2.0264
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 2
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄H₈N₂O₃
Molecular Weight:
132.12
Synonyms:
None
SMILES:
O=C(OC(=O)CN)CN
Tpsa:
95.41
Logp:
-2.0264
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
2