CS-0527656
rel-(3aR,7aR)-2-(tert-Butoxycarbonyl)-6,6-difluorooctahydro-1H-isoindole-3a-carboxylic acid
Manufacturer: ChemScene
CAS Number: 2696257-67-5
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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
C₁₄H₂₁F₂NO₄
Molecular Weight
305.32
Synonyms
None
SMILES
O=C(N1C[C@]2([H])CC(F)(F)CC[C@]2(C(O)=O)C1)OC(C)(C)C
Tpsa
66.84
Logp
2.7435
H Acceptors
3
H Donors
1
Rotatable Bonds
1
Related Products
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: C₁₄H₂₁F₂NO₄
Molecular Weight: 305.32
Synonyms: None
SMILES: O=C(N1C[C@]2([H])CC(F)(F)CC[C@]2(C(O)=O)C1)OC(C)(C)C
Tpsa: 66.84
Logp: 2.7435
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:
C₁₄H₂₁F₂NO₄
Molecular Weight:
305.32
Synonyms:
None
SMILES:
O=C(N1C[C@]2([H])CC(F)(F)CC[C@]2(C(O)=O)C1)OC(C)(C)C
Tpsa:
66.84
Logp:
2.7435
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: C₁₆H₂₁NO₃
Molecular Weight: 275.34
Synonyms: None
SMILES: O=C([C@]12CN(CC3=CC=CC=C3)C[C@@]1([H])CCCO2)OC
Tpsa: 38.77
Logp: 1.8406
H Acceptors: 4
H Donors: 0
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:
C₁₆H₂₁NO₃
Molecular Weight:
275.34
Synonyms:
None
SMILES:
O=C([C@]12CN(CC3=CC=CC=C3)C[C@@]1([H])CCCO2)OC
Tpsa:
38.77
Logp:
1.8406
H Acceptors:
4
H Donors:
0
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: C₁₆H₂₁NO₄S
Molecular Weight: 323.41
Synonyms: rel-Ethyl (3aS,6aR)-5-benzyltetrahydro-1H-thieno[3,4-c]pyrrole-3a(3H)-carboxylate 2,2-dioxide
SMILES: O=C([C@@]12[C@@](CS(C2)(=O)=O)([H])CN(CC3=CC=CC=C3)C1)OCC
Tpsa: 63.68
Logp: 1.0963
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:
C₁₆H₂₁NO₄S
Molecular Weight:
323.41
Synonyms:
rel-Ethyl (3aS,6aR)-5-benzyltetrahydro-1H-thieno[3,4-c]pyrrole-3a(3H)-carboxylate 2,2-dioxide
SMILES:
O=C([C@@]12[C@@](CS(C2)(=O)=O)([H])CN(CC3=CC=CC=C3)C1)OCC
Tpsa:
63.68
Logp:
1.0963
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: C₇H₁₄N₂O
Molecular Weight: 142.20
Synonyms: None
SMILES: OC[C@@]12[C@](CNC2)([H])CNC1
Tpsa: 44.29
Logp: -1.2123
H Acceptors: 3
H Donors: 3
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:
C₇H₁₄N₂O
Molecular Weight:
142.20
Synonyms:
None
SMILES:
OC[C@@]12[C@](CNC2)([H])CNC1
Tpsa:
44.29
Logp:
-1.2123
H Acceptors:
3
H Donors:
3
Rotatable Bonds:
1