CS-1000712
Rolapitant Impurity 7
Manufacturer: ChemScene
CAS Number: 1214741-29-3
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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
C₂₅H₂₆F₆N₂O₂
Molecular Weight
500.48
Synonyms
None
SMILES
C(O[C@@H](C)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)[C@]2(CC[C@@]3(CN2)NC(=O)CC3)C4=CC=CC=C4
Tpsa
50.36
Logp
5.7295
H Acceptors
3
H Donors
2
Rotatable Bonds
5
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 1214741-29-3 | Rolapitant (1S,2S,3R)-Isomer | A2B Chem | -- |
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: C₂₅H₂₆F₆N₂O₂
Molecular Weight: 500.48
Synonyms: None
SMILES: C(O[C@@H](C)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)[C@]2(CC[C@@]3(CN2)NC(=O)CC3)C4=CC=CC=C4
Tpsa: 50.36
Logp: 5.7295
H Acceptors: 3
H Donors: 2
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:
C₂₅H₂₆F₆N₂O₂
Molecular Weight:
500.48
Synonyms:
None
SMILES:
C(O[C@@H](C)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)[C@]2(CC[C@@]3(CN2)NC(=O)CC3)C4=CC=CC=C4
Tpsa:
50.36
Logp:
5.7295
H Acceptors:
3
H Donors:
2
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: C₆₃H₈₇CoN₁₃O₁₅P
Molecular Weight: 1356.35
Synonyms: None
SMILES: N#[C-][Co+3]1234[N]5=CN(C=6C=C(C(=CC65)C)C)C7OC(CO)C(OP(=O)([O-])OC(C)CNC(=O)CCC8(C9=C(C%10=[N]4C(=CC%11=[N]3C(=C(C%12=[N]2C(C)(C([N-]91)C8CC(=O)N)C(C)(CC(=O)O)C%12CCC(=O)N)C)C(C)(CC(=O)N)C%11CCC(=O)N)C(C)(C)C%10CCC(=O)N)C)C)C7O
Tpsa: N/A
Logp: N/A
H Acceptors: N/A
H Donors: N/A
Rotatable Bonds: N/A
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆₃H₈₇CoN₁₃O₁₅P
Molecular Weight:
1356.35
Synonyms:
None
SMILES:
N#[C-][Co+3]1234[N]5=CN(C=6C=C(C(=CC65)C)C)C7OC(CO)C(OP(=O)([O-])OC(C)CNC(=O)CCC8(C9=C(C%10=[N]4C(=CC%11=[N]3C(=C(C%12=[N]2C(C)(C([N-]91)C8CC(=O)N)C(C)(CC(=O)O)C%12CCC(=O)N)C)C(C)(CC(=O)N)C%11CCC(=O)N)C(C)(C)C%10CCC(=O)N)C)C)C7O
Tpsa:
N/A
Logp:
N/A
H Acceptors:
N/A
H Donors:
N/A
Rotatable Bonds:
N/A
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₈H₃₇N₃O₃
Molecular Weight: 463.61
Synonyms: None
SMILES: O=C(O)C(C=1C=CC=C(C1)CCN2CCC(C3=NC=4C=CC=CC4N3CCOCC)CC2)(C)C
Tpsa: 67.59
Logp: 4.8571
H Acceptors: 5
H Donors: 1
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:
C₂₈H₃₇N₃O₃
Molecular Weight:
463.61
Synonyms:
None
SMILES:
O=C(O)C(C=1C=CC=C(C1)CCN2CCC(C3=NC=4C=CC=CC4N3CCOCC)CC2)(C)C
Tpsa:
67.59
Logp:
4.8571
H Acceptors:
5
H Donors:
1
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: C₁₈H₂₄N₂O₃S
Molecular Weight: 348.46
Synonyms: None
SMILES: S(N)(=O)(=O)C1=C(OC)C=CC(C[C@H](N[C@H](C)C2=CC=CC=C2)C)=C1
Tpsa: 81.42
Logp: 2.6244
H Acceptors: 4
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:
C₁₈H₂₄N₂O₃S
Molecular Weight:
348.46
Synonyms:
None
SMILES:
S(N)(=O)(=O)C1=C(OC)C=CC(C[C@H](N[C@H](C)C2=CC=CC=C2)C)=C1
Tpsa:
81.42
Logp:
2.6244
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
7