CS-0137885
Fosaprepitant dibenzyl ester
Manufacturer: ChemScene
CAS Number: 265121-01-5
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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
C₃₇H₃₄F₇N₄O₆P
Molecular Weight
794.65
Synonyms
Phosphonic acid, P-[3-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-2,5-dihydro-5-oxo-1H-1,2,4-triazol-1-yl]-, bis(phenylmethyl) ester
SMILES
O=P(OCC1=CC=CC=C1)(N2NC(CN3[C@@H](C4=CC=C(F)C=C4)[C@@H](O[C@@H](C5=CC(C(F)(F)F)=CC(C(F)(F)F)=C5)C)OCC3)=NC2=O)OCC6=CC=CC=C6
Tpsa
107.91
Logp
8.8153
H Acceptors
9
H Donors
1
Rotatable Bonds
13
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 265121-01-5 | FosaprepitantDibenzylEster | 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: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₇H₃₄F₇N₄O₆P
Molecular Weight: 794.65
Synonyms: Phosphonic acid, P-[3-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-2,5-dihydro-5-oxo-1H-1,2,4-triazol-1-yl]-, bis(phenylmethyl) ester
SMILES: O=P(OCC1=CC=CC=C1)(N2NC(CN3[C@@H](C4=CC=C(F)C=C4)[C@@H](O[C@@H](C5=CC(C(F)(F)F)=CC(C(F)(F)F)=C5)C)OCC3)=NC2=O)OCC6=CC=CC=C6
Tpsa: 107.91
Logp: 8.8153
H Acceptors: 9
H Donors: 1
Rotatable Bonds: 13
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₇H₃₄F₇N₄O₆P
Molecular Weight:
794.65
Synonyms:
Phosphonic acid, P-[3-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-2,5-dihydro-5-oxo-1H-1,2,4-triazol-1-yl]-, bis(phenylmethyl) ester
SMILES:
O=P(OCC1=CC=CC=C1)(N2NC(CN3[C@@H](C4=CC=C(F)C=C4)[C@@H](O[C@@H](C5=CC(C(F)(F)F)=CC(C(F)(F)F)=C5)C)OCC3)=NC2=O)OCC6=CC=CC=C6
Tpsa:
107.91
Logp:
8.8153
H Acceptors:
9
H Donors:
1
Rotatable Bonds:
13
Purity: 98%
MDL No: MFCD00037200
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₈O₃.₁/₂Ca
Molecular Weight: 183.19
Synonyms: None
SMILES: O=C([O-])C(CC1=CC=CC=C1)=O.[Ca+2].[1/2]
Tpsa: N/A
Logp: N/A
H Acceptors: N/A
H Donors: N/A
Rotatable Bonds: N/A
Purity:
98%
MDL No:
MFCD00037200
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₈O₃.₁/₂Ca
Molecular Weight:
183.19
Synonyms:
None
SMILES:
O=C([O-])C(CC1=CC=CC=C1)=O.[Ca+2].[1/2]
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: C₁₁H₂₂N₂O₂
Molecular Weight: 214.30
Synonyms: 1-Piperidinecarboxylic acid, 4-amino-2-methyl-, 1,1-dimethylethyl ester, (2S,4S)
SMILES: O=C(OC(C)(C)C)N1[C@H](C[C@H](CC1)N)C
Tpsa: 55.56
Logp: 1.7331
H Acceptors: 3
H Donors: 1
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:
C₁₁H₂₂N₂O₂
Molecular Weight:
214.30
Synonyms:
1-Piperidinecarboxylic acid, 4-amino-2-methyl-, 1,1-dimethylethyl ester, (2S,4S)
SMILES:
O=C(OC(C)(C)C)N1[C@H](C[C@H](CC1)N)C
Tpsa:
55.56
Logp:
1.7331
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
0
Purity: 95+%
MDL No: MFCD01830853
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₅NO₃
Molecular Weight: 221.25
Synonyms: 7,8-Dimethoxy-1,3-Dihydro-2H-Benzazepin-2-one
SMILES: O=C1NCCC2=CC(OC)=C(OC)C=C2C1
Tpsa: 47.56
Logp: 0.9186
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 2
Purity:
95+%
MDL No:
MFCD01830853
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₅NO₃
Molecular Weight:
221.25
Synonyms:
7,8-Dimethoxy-1,3-Dihydro-2H-Benzazepin-2-one
SMILES:
O=C1NCCC2=CC(OC)=C(OC)C=C2C1
Tpsa:
47.56
Logp:
0.9186
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2