CS-1174946
Benzyl (3R,4S)-3-(N-(ethoxycarbonyl)-N-(5-tosyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)glycyl)-4-ethylpyrrolidine-1-carboxylate Impority
Manufacturer: ChemScene
CAS Number: 2050038-81-6
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Purity
97%
MDL No
None
Storage
Store at room temperature
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₃₂H₃₅N₅O₇S
Molecular Weight
633.71
Synonyms
Upadacitinib Impurity 17
SMILES
O=S(N1C2=NC=C(N(C(OCC)=O)CC([C@@H]3[C@@H](CN(C3)C(OCC4=CC=CC=C4)=O)CC)=O)N=C2C=C1)(C5=CC=C(C=C5)C)=O
Tpsa
141
Logp
4.80352
H Acceptors
10
H Donors
0
Rotatable Bonds
10
Other Options
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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: 97%
MDL No: None
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₂H₃₅N₅O₇S
Molecular Weight: 633.71
Synonyms: Upadacitinib Impurity 17
SMILES: O=S(N1C2=NC=C(N(C(OCC)=O)CC([C@@H]3[C@@H](CN(C3)C(OCC4=CC=CC=C4)=O)CC)=O)N=C2C=C1)(C5=CC=C(C=C5)C)=O
Tpsa: 141
Logp: 4.80352
H Acceptors: 10
H Donors: 0
Rotatable Bonds: 10
Purity:
97%
MDL No:
None
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₂H₃₅N₅O₇S
Molecular Weight:
633.71
Synonyms:
Upadacitinib Impurity 17
SMILES:
O=S(N1C2=NC=C(N(C(OCC)=O)CC([C@@H]3[C@@H](CN(C3)C(OCC4=CC=CC=C4)=O)CC)=O)N=C2C=C1)(C5=CC=C(C=C5)C)=O
Tpsa:
141
Logp:
4.80352
H Acceptors:
10
H Donors:
0
Rotatable Bonds:
10
Purity: 98%
MDL No: None
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₂H₃₅N₅O₇S
Molecular Weight: 633.71
Synonyms: Upadacitinib Impurity 27
SMILES: O=S(N1C2=NC=C(N(C(OCC)=O)CC([C@@H]3[C@@H](CC)CN(C3)C(OCC4=CC=CC=C4)=O)=O)N=C2C=C1)(C5=CC=C(C=C5)C)=O
Tpsa: 141
Logp: 4.80352
H Acceptors: 10
H Donors: 0
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₂H₃₅N₅O₇S
Molecular Weight:
633.71
Synonyms:
Upadacitinib Impurity 27
SMILES:
O=S(N1C2=NC=C(N(C(OCC)=O)CC([C@@H]3[C@@H](CC)CN(C3)C(OCC4=CC=CC=C4)=O)=O)N=C2C=C1)(C5=CC=C(C=C5)C)=O
Tpsa:
141
Logp:
4.80352
H Acceptors:
10
H Donors:
0
Rotatable Bonds:
10
Purity: 98%
MDL No: None
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₃NO₂
Molecular Weight: 227.26
Synonyms: None
SMILES: O=C(C1=CC=C(N(C)C2=CC=CC=C2)C=C1)O
Tpsa: 40.54
Logp: 3.1527
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₃NO₂
Molecular Weight:
227.26
Synonyms:
None
SMILES:
O=C(C1=CC=C(N(C)C2=CC=CC=C2)C=C1)O
Tpsa:
40.54
Logp:
3.1527
H Acceptors:
2
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: C₈H₅BrOS
Molecular Weight: 229.09
Synonyms: None
SMILES: OC1=C(C=CS2)C2=CC=C1Br
Tpsa: 20.23
Logp: 3.3694
H Acceptors: 2
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:
C₈H₅BrOS
Molecular Weight:
229.09
Synonyms:
None
SMILES:
OC1=C(C=CS2)C2=CC=C1Br
Tpsa:
20.23
Logp:
3.3694
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
0