CS-0914870
Aprepitant Impurity 9
Manufacturer: ChemScene
CAS Number: 219821-37-1
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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
C₂₄H₂₅F₇N₄O₄
Molecular Weight
566.47
Synonyms
None
SMILES
O([C@H](C)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)[C@@H]2[C@@H](N(CC(NNC(OC)=O)=N)CCO2)C3=CC=C(F)C=C3
Tpsa
95.91
Logp
5.17837
H Acceptors
6
H Donors
3
Rotatable Bonds
6
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: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₄H₂₅F₇N₄O₄
Molecular Weight: 566.47
Synonyms: None
SMILES: O([C@H](C)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)[C@@H]2[C@@H](N(CC(NNC(OC)=O)=N)CCO2)C3=CC=C(F)C=C3
Tpsa: 95.91
Logp: 5.17837
H Acceptors: 6
H Donors: 3
Rotatable Bonds: 6
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₄H₂₅F₇N₄O₄
Molecular Weight:
566.47
Synonyms:
None
SMILES:
O([C@H](C)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)[C@@H]2[C@@H](N(CC(NNC(OC)=O)=N)CCO2)C3=CC=C(F)C=C3
Tpsa:
95.91
Logp:
5.17837
H Acceptors:
6
H Donors:
3
Rotatable Bonds:
6
Purity: 95%
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: O([C@@H](C)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)[C@H]2[C@@H](NCCO2)C3=CC=C(F)C=C3.Cl
Tpsa: 30.49
Logp: 6.0499
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 4
Purity:
95%
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:
O([C@@H](C)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)[C@H]2[C@@H](NCCO2)C3=CC=C(F)C=C3.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: C₂₁H₂₃BrN₂O₃S
Molecular Weight: 463.39
Synonyms: None
SMILES: O=C(OC)C=1C=2C(=CC(Br)=C(O)C2CN(C)C)N(C1CSC=3C=CC=CC3)C
Tpsa: 54.7
Logp: 4.7869
H Acceptors: 6
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:
C₂₁H₂₃BrN₂O₃S
Molecular Weight:
463.39
Synonyms:
None
SMILES:
O=C(OC)C=1C=2C(=CC(Br)=C(O)C2CN(C)C)N(C1CSC=3C=CC=CC3)C
Tpsa:
54.7
Logp:
4.7869
H Acceptors:
6
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: C₁₅H₁₄Br₃NO₄
Molecular Weight: 511.99
Synonyms: None
SMILES: O=C(OCC)C=1C=2C(Br)=C(OC(=O)C)C(Br)=CC2N(C1CBr)C
Tpsa: 57.53
Logp: 4.7002
H Acceptors: 5
H Donors: 0
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:
C₁₅H₁₄Br₃NO₄
Molecular Weight:
511.99
Synonyms:
None
SMILES:
O=C(OCC)C=1C=2C(Br)=C(OC(=O)C)C(Br)=CC2N(C1CBr)C
Tpsa:
57.53
Logp:
4.7002
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
4