CS-1174942
Benzyl (3S,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: 2715120-95-7
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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
C₃₂H₃₅N₅O₇S
Molecular Weight
633.71
Synonyms
None
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
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | Phenylmethyl (3S,4S)-3-[2-[(ethoxycarbonyl)[5-[(4-methylphenyl)sulfonyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]amino]acetyl]-4-ethyl-1-pyrrolidinecarboxylate | ChemScene | -- | |
 | 2715120-95-7 | | 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: C₃₂H₃₅N₅O₇S
Molecular Weight: 633.71
Synonyms: None
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:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₂H₃₅N₅O₇S
Molecular Weight:
633.71
Synonyms:
None
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: 4°C, protect from light, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₉H₁₈I₃NO₃
Molecular Weight: 689.06
Synonyms: None
SMILES: IC1=C(OC2=CC=C(O)C(I)=C2)C(I)=CC(CC(N3CCCCC3)=O)=C1
Tpsa: 49.77
Logp: 5.5533
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
4°C, protect from light, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₉H₁₈I₃NO₃
Molecular Weight:
689.06
Synonyms:
None
SMILES:
IC1=C(OC2=CC=C(O)C(I)=C2)C(I)=CC(CC(N3CCCCC3)=O)=C1
Tpsa:
49.77
Logp:
5.5533
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
4
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