CS-1003336
Upadacitinib Impurity 23
Manufacturer: ChemScene
CAS Number: 2715120-86-6
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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
C₂₀H₂₁F₆N₇O₂
Molecular Weight
505.42
Synonyms
None
SMILES
C(C)[C@H]1[C@@H](C=2N3C4=C(N(C(NCC(F)(F)F)=O)C=C4)N=CC3=NC2)CN(C(NCC(F)(F)F)=O)C1
Tpsa
96.56
Logp
3.5013
H Acceptors
6
H Donors
2
Rotatable Bonds
4
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 2715120-86-6 | 12-[(3R,4S)-4-Ethyl-1-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-3-yl]-N-(2,2,2-trifluoroethyl)-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene-5-carboxamide | A2B Chem | -- |
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: C₂₀H₂₁F₆N₇O₂
Molecular Weight: 505.42
Synonyms: None
SMILES: C(C)[C@H]1[C@@H](C=2N3C4=C(N(C(NCC(F)(F)F)=O)C=C4)N=CC3=NC2)CN(C(NCC(F)(F)F)=O)C1
Tpsa: 96.56
Logp: 3.5013
H Acceptors: 6
H Donors: 2
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:
C₂₀H₂₁F₆N₇O₂
Molecular Weight:
505.42
Synonyms:
None
SMILES:
C(C)[C@H]1[C@@H](C=2N3C4=C(N(C(NCC(F)(F)F)=O)C=C4)N=CC3=NC2)CN(C(NCC(F)(F)F)=O)C1
Tpsa:
96.56
Logp:
3.5013
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
4
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 16
SMILES: S(=O)(=O)(N1C=2C(=NC(N(CC(=O)[C@H]3[C@H](CC)CN(C(OCC4=CC=CC=C4)=O)C3)C(OCC)=O)=CN2)C=C1)C5=CC=C(C)C=C5
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 16
SMILES:
S(=O)(=O)(N1C=2C(=NC(N(CC(=O)[C@H]3[C@H](CC)CN(C(OCC4=CC=CC=C4)=O)C3)C(OCC)=O)=CN2)C=C1)C5=CC=C(C)C=C5
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: C₁₀H₁₃NO
Molecular Weight: 163.22
Synonyms: None
SMILES: O=C(C=1C=CC=CC1)CCNC
Tpsa: 29.1
Logp: 1.4788
H Acceptors: 2
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:
C₁₀H₁₃NO
Molecular Weight:
163.22
Synonyms:
None
SMILES:
O=C(C=1C=CC=CC1)CCNC
Tpsa:
29.1
Logp:
1.4788
H Acceptors:
2
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: C₂₀H₂₀O₄S
Molecular Weight: 356.44
Synonyms: None
SMILES: O(CC[C@H](OS(C)(=O)=O)C1=CC=CC=C1)C=2C3=C(C=CC2)C=CC=C3
Tpsa: 52.6
Logp: 4.3262
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₂₀O₄S
Molecular Weight:
356.44
Synonyms:
None
SMILES:
O(CC[C@H](OS(C)(=O)=O)C1=CC=CC=C1)C=2C3=C(C=CC2)C=CC=C3
Tpsa:
52.6
Logp:
4.3262
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
7