CS-0184955
tert-Butyl rel-(3aR,5R,6aS)-5-(benzylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
Manufacturer: ChemScene
CAS Number: 863600-79-7
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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
C₁₉H₂₈N₂O₂
Molecular Weight
316.44
Synonyms
None
SMILES
O=C(N1C[C@]2([H])[C@](C[C@H](NCC3=CC=CC=C3)C2)([H])C1)OC(C)(C)C
Tpsa
41.57
Logp
3.4217
H Acceptors
3
H Donors
1
Rotatable Bonds
3
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: C₁₉H₂₈N₂O₂
Molecular Weight: 316.44
Synonyms: None
SMILES: O=C(N1C[C@]2([H])[C@](C[C@H](NCC3=CC=CC=C3)C2)([H])C1)OC(C)(C)C
Tpsa: 41.57
Logp: 3.4217
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:
C₁₉H₂₈N₂O₂
Molecular Weight:
316.44
Synonyms:
None
SMILES:
O=C(N1C[C@]2([H])[C@](C[C@H](NCC3=CC=CC=C3)C2)([H])C1)OC(C)(C)C
Tpsa:
41.57
Logp:
3.4217
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: C₁₂H₂₄N₂O₃
Molecular Weight: 244.33
Synonyms: None
SMILES: O=C(N1C[C@H](C(C)(O)C)NCC1)OC(C)(C)C
Tpsa: 61.8
Logp: 0.9662
H Acceptors: 4
H Donors: 2
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:
C₁₂H₂₄N₂O₃
Molecular Weight:
244.33
Synonyms:
None
SMILES:
O=C(N1C[C@H](C(C)(O)C)NCC1)OC(C)(C)C
Tpsa:
61.8
Logp:
0.9662
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₂₀BrNO₃
Molecular Weight: 354.24
Synonyms: Upadacitinib intermediate5
SMILES: O=C(N1C[C@H](C(CBr)=O)[C@H](CC)C1)OCC2=CC=CC=C2
Tpsa: 46.61
Logp: 3.2452
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₂₀BrNO₃
Molecular Weight:
354.24
Synonyms:
Upadacitinib intermediate5
SMILES:
O=C(N1C[C@H](C(CBr)=O)[C@H](CC)C1)OCC2=CC=CC=C2
Tpsa:
46.61
Logp:
3.2452
H Acceptors:
3
H Donors:
0
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: C₁₀H₁₇F₂NO₂
Molecular Weight: 221.24
Synonyms: None
SMILES: O=C(N1C[C@H](C(F)F)CC1)OC(C)(C)C
Tpsa: 29.54
Logp: 2.5085
H Acceptors: 2
H Donors: 0
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:
C₁₀H₁₇F₂NO₂
Molecular Weight:
221.24
Synonyms:
None
SMILES:
O=C(N1C[C@H](C(F)F)CC1)OC(C)(C)C
Tpsa:
29.54
Logp:
2.5085
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
1