CS-1003364
Abrocitinib Impurity 1
Manufacturer: ChemScene
CAS Number: 2744171-54-6
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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
C₁₄H₂₁N₅O₃S
Molecular Weight
339.41
Synonyms
None
SMILES
N(C)(C1=C2C(NC=C2)=NC=N1)[C@H]3C[C@@H](NS(CCCO)(=O)=O)C3
Tpsa
111.21
Logp
0.2269
H Acceptors
6
H Donors
3
Rotatable Bonds
7
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 2744171-54-6 | ABROCITINIB METABOLITE M1 | 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: C₁₄H₂₁N₅O₃S
Molecular Weight: 339.41
Synonyms: None
SMILES: N(C)(C1=C2C(NC=C2)=NC=N1)[C@H]3C[C@@H](NS(CCCO)(=O)=O)C3
Tpsa: 111.21
Logp: 0.2269
H Acceptors: 6
H Donors: 3
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:
C₁₄H₂₁N₅O₃S
Molecular Weight:
339.41
Synonyms:
None
SMILES:
N(C)(C1=C2C(NC=C2)=NC=N1)[C@H]3C[C@@H](NS(CCCO)(=O)=O)C3
Tpsa:
111.21
Logp:
0.2269
H Acceptors:
6
H Donors:
3
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: C₁₇H₁₆BrClO₂
Molecular Weight: 367.66
Synonyms: None
SMILES: C(C1=CC(O[C@H]2CCOC2)=CC=C1)C3=C(Cl)C=CC(Br)=C3
Tpsa: 18.46
Logp: 4.861
H Acceptors: 2
H Donors: 0
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:
C₁₇H₁₆BrClO₂
Molecular Weight:
367.66
Synonyms:
None
SMILES:
C(C1=CC(O[C@H]2CCOC2)=CC=C1)C3=C(Cl)C=CC(Br)=C3
Tpsa:
18.46
Logp:
4.861
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
4
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₇H₃₂F₂N₆O₅S
Molecular Weight: 590.64
Synonyms: None
SMILES: O(CC(OC)=O)[C@H]1C[C@H]([C@]2([C@@]1(OC(C)(C)O2)[H])[H])N3C=4C(N=N3)=C(N[C@H]5[C@@H](C5)C6=CC(F)=C(F)C=C6)N=C(SCCC)N4
Tpsa: 122.51
Logp: 3.9927
H Acceptors: 12
H Donors: 1
Rotatable Bonds: 10
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₇H₃₂F₂N₆O₅S
Molecular Weight:
590.64
Synonyms:
None
SMILES:
O(CC(OC)=O)[C@H]1C[C@H]([C@]2([C@@]1(OC(C)(C)O2)[H])[H])N3C=4C(N=N3)=C(N[C@H]5[C@@H](C5)C6=CC(F)=C(F)C=C6)N=C(SCCC)N4
Tpsa:
122.51
Logp:
3.9927
H Acceptors:
12
H Donors:
1
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: C₁₄H₁₈N₂O₅S₂
Molecular Weight: 358.43
Synonyms: None
SMILES: C(NC(C(C(O)=O)C=1C=CSC1)=O)C2N[C@@H](C(O)=O)C(C)(C)S2
Tpsa: 115.73
Logp: 0.9268
H Acceptors: 6
H Donors: 4
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:
C₁₄H₁₈N₂O₅S₂
Molecular Weight:
358.43
Synonyms:
None
SMILES:
C(NC(C(C(O)=O)C=1C=CSC1)=O)C2N[C@@H](C(O)=O)C(C)(C)S2
Tpsa:
115.73
Logp:
0.9268
H Acceptors:
6
H Donors:
4
Rotatable Bonds:
6