CS-0008500
N-[(2S)-2-[[(3R,4R)-4-(3-Hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]methyl]-1-oxo-3-phenylpropyl]glycine ethyl ester
Manufacturer: ChemScene
CAS Number: 660848-91-9
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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
C₂₇H₃₆N₂O₄
Molecular Weight
452.59
Synonyms
Glycine, N-[(2S)-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]-1-oxo-2-(phenylmethyl)propyl]-, ethyl ester
SMILES
OC1=CC=CC([C@@]2(C)[C@@H](C)CN(C[C@H](CC3=CC=CC=C3)C(NCC(OCC)=O)=O)CC2)=C1
Tpsa
78.87
Logp
3.5299
H Acceptors
5
H Donors
2
Rotatable Bonds
9
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 660848-91-9 | Alvimopan impurity 8 | 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: C₂₇H₃₆N₂O₄
Molecular Weight: 452.59
Synonyms: Glycine, N-[(2S)-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]-1-oxo-2-(phenylmethyl)propyl]-, ethyl ester
SMILES: OC1=CC=CC([C@@]2(C)[C@@H](C)CN(C[C@H](CC3=CC=CC=C3)C(NCC(OCC)=O)=O)CC2)=C1
Tpsa: 78.87
Logp: 3.5299
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₇H₃₆N₂O₄
Molecular Weight:
452.59
Synonyms:
Glycine, N-[(2S)-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]-1-oxo-2-(phenylmethyl)propyl]-, ethyl ester
SMILES:
OC1=CC=CC([C@@]2(C)[C@@H](C)CN(C[C@H](CC3=CC=CC=C3)C(NCC(OCC)=O)=O)CC2)=C1
Tpsa:
78.87
Logp:
3.5299
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
9
Purity: 96%
MDL No: MFCD00040203
Storage: RT, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₁BrO
Molecular Weight: 215.09
Synonyms: 4-Bromo-2-isopropylphenol
SMILES: BrC1=CC(C(C)C)=C(O)C=C1
Tpsa: 20.23
Logp: 3.2781
H Acceptors: 1
H Donors: 1
Rotatable Bonds: 1
Purity:
96%
MDL No:
MFCD00040203
Storage:
RT, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₁BrO
Molecular Weight:
215.09
Synonyms:
4-Bromo-2-isopropylphenol
SMILES:
BrC1=CC(C(C)C)=C(O)C=C1
Tpsa:
20.23
Logp:
3.2781
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: MFCD28044284
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₆H₂₅F₄N₃O₃S
Molecular Weight: 535.55
Synonyms: None
SMILES: O=S(N1C[C@@]2(COCC)CC3=C(N(C4=CC=C(F)C=C4)N=C3)C=C2CC1)(C5=CC=C(C(F)(F)F)C=C5)=O
Tpsa: 64.43
Logp: 5.0872
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 6
Purity:
98%
MDL No:
MFCD28044284
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₆H₂₅F₄N₃O₃S
Molecular Weight:
535.55
Synonyms:
None
SMILES:
O=S(N1C[C@@]2(COCC)CC3=C(N(C4=CC=C(F)C=C4)N=C3)C=C2CC1)(C5=CC=C(C(F)(F)F)C=C5)=O
Tpsa:
64.43
Logp:
5.0872
H Acceptors:
5
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: C₃₉H₇₂O₂Si₂
Molecular Weight: 629.16
Synonyms: None
SMILES: C=C([C@H](C[C@H](O[Si](C)(C)C(C)(C)C)C/1)O[Si](C)(C)C(C)(C)C)C1=C/C=C2[C@@]3([H])[C@@](CCC/2)(C)[C@@H]([C@H](C)CCCC(C)C)CC3
Tpsa: 18.46
Logp: 12.6488
H Acceptors: 2
H Donors: 0
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:
C₃₉H₇₂O₂Si₂
Molecular Weight:
629.16
Synonyms:
None
SMILES:
C=C([C@H](C[C@H](O[Si](C)(C)C(C)(C)C)C/1)O[Si](C)(C)C(C)(C)C)C1=C/C=C2[C@@]3([H])[C@@](CCC/2)(C)[C@@H]([C@H](C)CCCC(C)C)CC3
Tpsa:
18.46
Logp:
12.6488
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
10