CS-0520665
Methyl (1S,3R)-3-(((benzyloxy)carbonyl)amino)-5-oxocyclohexane-1-carboxylate
Manufacturer: ChemScene
CAS Number: 2227198-45-8
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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
C₁₆H₁₉NO₅
Molecular Weight
305.33
Synonyms
None
SMILES
COC(=O)[C@@H]1CC(=O)C[C@H](NC(=O)OCC2=CC=CC=C2)C1
Tpsa
81.7
Logp
1.8236
H Acceptors
5
H Donors
1
Rotatable Bonds
4
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 2227198-45-8 | Methyl (1S,3R)-3-(((benzyloxy)carbonyl)amino)-5-oxocyclohexane-1-carboxylate | A2B Chem | -- |
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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: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₉NO₅
Molecular Weight: 305.33
Synonyms: None
SMILES: COC(=O)[C@@H]1CC(=O)C[C@H](NC(=O)OCC2=CC=CC=C2)C1
Tpsa: 81.7
Logp: 1.8236
H Acceptors: 5
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:
C₁₆H₁₉NO₅
Molecular Weight:
305.33
Synonyms:
None
SMILES:
COC(=O)[C@@H]1CC(=O)C[C@H](NC(=O)OCC2=CC=CC=C2)C1
Tpsa:
81.7
Logp:
1.8236
H Acceptors:
5
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: C₁₂H₂₄N₂O₂
Molecular Weight: 228.33
Synonyms: None
SMILES: CC(C)(C)OC(=O)N[C@H]1C[C@@H](CN)C1(C)C
Tpsa: 64.35
Logp: 1.8845
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₂₄N₂O₂
Molecular Weight:
228.33
Synonyms:
None
SMILES:
CC(C)(C)OC(=O)N[C@H]1C[C@@H](CN)C1(C)C
Tpsa:
64.35
Logp:
1.8845
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₁₅ClN₂O₂S
Molecular Weight: 226.72
Synonyms: None
SMILES: Cl.[H][C@@]12CCN[C@]1([H])CN(S(C)(=O)=O)C2
Tpsa: 49.41
Logp: -0.3385
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₁₅ClN₂O₂S
Molecular Weight:
226.72
Synonyms:
None
SMILES:
Cl.[H][C@@]12CCN[C@]1([H])CN(S(C)(=O)=O)C2
Tpsa:
49.41
Logp:
-0.3385
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₉NO₄
Molecular Weight: 289.33
Synonyms: rel-(1R,2S,5R)-8-[(benzyloxy)carbonyl]-8-azabicyclo[3.2.1]octane-2-carboxylic acid
SMILES: O=C(O)[C@H]1CC[C@@H]2CC[C@H]1N2C(=O)OCC1=CC=CC=C1
Tpsa: 66.84
Logp: 2.6508
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₉NO₄
Molecular Weight:
289.33
Synonyms:
rel-(1R,2S,5R)-8-[(benzyloxy)carbonyl]-8-azabicyclo[3.2.1]octane-2-carboxylic acid
SMILES:
O=C(O)[C@H]1CC[C@@H]2CC[C@H]1N2C(=O)OCC1=CC=CC=C1
Tpsa:
66.84
Logp:
2.6508
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
3