CS-1003064
Upadacitinib Impurity 69
Manufacturer: ChemScene
CAS Number: 2411540-30-0
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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
C₂₄H₂₅F₃N₆O₃S
Molecular Weight
534.55
Synonyms
None
SMILES
S(=O)(=O)(N1C2=C(N3C(=CN=C3C=N2)[C@@H]4[C@H](CC)CN(C(NCC(F)(F)F)=O)C4)C=C1)C5=CC=C(C)C=C5
Tpsa
101.6
Logp
3.92672
H Acceptors
7
H Donors
1
Rotatable Bonds
5
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 2411540-30-0 | (3S,4R)-3-Ethyl-4-[3-[(4-methylphenyl)sulfonyl]-3H-imidazo[1,2-a]pyrrolo[2,3-e]pyrazin-8-yl]-N-(2,2,2-trifluoroethyl)-1-pyrrolidinecarboxamide | A2B Chem | -- |
SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
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: C₂₄H₂₅F₃N₆O₃S
Molecular Weight: 534.55
Synonyms: None
SMILES: S(=O)(=O)(N1C2=C(N3C(=CN=C3C=N2)[C@@H]4[C@H](CC)CN(C(NCC(F)(F)F)=O)C4)C=C1)C5=CC=C(C)C=C5
Tpsa: 101.6
Logp: 3.92672
H Acceptors: 7
H Donors: 1
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:
C₂₄H₂₅F₃N₆O₃S
Molecular Weight:
534.55
Synonyms:
None
SMILES:
S(=O)(=O)(N1C2=C(N3C(=CN=C3C=N2)[C@@H]4[C@H](CC)CN(C(NCC(F)(F)F)=O)C4)C=C1)C5=CC=C(C)C=C5
Tpsa:
101.6
Logp:
3.92672
H Acceptors:
7
H Donors:
1
Rotatable Bonds:
5
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₄Br₂Cl₂O
Molecular Weight: 346.83
Synonyms: None
SMILES: O=C(C1=CC=C(Cl)C=C1Cl)C(Br)Br
Tpsa: 17.07
Logp: 4.292
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 2
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₄Br₂Cl₂O
Molecular Weight:
346.83
Synonyms:
None
SMILES:
O=C(C1=CC=C(Cl)C=C1Cl)C(Br)Br
Tpsa:
17.07
Logp:
4.292
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₂₆N₄O₃
Molecular Weight: 286.37
Synonyms: None
SMILES: [C@@H](C(CC)CC)(N)[C@]1([C@H](NC(=N)N)C[C@H](C(O)=O)[C@H]1O)[H]
Tpsa: 145.45
Logp: -0.31683
H Acceptors: 4
H Donors: 6
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₂₆N₄O₃
Molecular Weight:
286.37
Synonyms:
None
SMILES:
[C@@H](C(CC)CC)(N)[C@]1([C@H](NC(=N)N)C[C@H](C(O)=O)[C@H]1O)[H]
Tpsa:
145.45
Logp:
-0.31683
H Acceptors:
4
H Donors:
6
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₂₇FO₄
Molecular Weight: 374.45
Synonyms: None
SMILES: F[C@@]12[C@]([C@]3([C@](C)(C[C@@H]1O)\C(=C\C(O)=O)\[C@@H](C)C3)[H])(CCC=4[C@]2(C)C=CC(=O)C4)[H]
Tpsa: 74.6
Logp: 3.6142
H Acceptors: 3
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:
C₂₂H₂₇FO₄
Molecular Weight:
374.45
Synonyms:
None
SMILES:
F[C@@]12[C@]([C@]3([C@](C)(C[C@@H]1O)\C(=C\C(O)=O)\[C@@H](C)C3)[H])(CCC=4[C@]2(C)C=CC(=O)C4)[H]
Tpsa:
74.6
Logp:
3.6142
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
1