CS-1003118
Upadacitinib Impurity 50
Manufacturer: ChemScene
CAS Number: 2460133-49-5
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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
C₁₆H₂₀ClNO₃
Molecular Weight
309.79
Synonyms
None
SMILES
C(CCl)(=O)[C@@H]1[C@H](CC)CN(C(OCC2=CC=CC=C2)=O)C1
Tpsa
46.61
Logp
3.0891
H Acceptors
3
H Donors
0
Rotatable Bonds
5
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 2460133-49-5 | Phenylmethyl (3R,4S)-3-(2-chloroacetyl)-4-ethyl-1-pyrrolidinecarboxylate | A2B Chem | -- |
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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: C₁₆H₂₀ClNO₃
Molecular Weight: 309.79
Synonyms: None
SMILES: C(CCl)(=O)[C@@H]1[C@H](CC)CN(C(OCC2=CC=CC=C2)=O)C1
Tpsa: 46.61
Logp: 3.0891
H Acceptors: 3
H Donors: 0
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:
C₁₆H₂₀ClNO₃
Molecular Weight:
309.79
Synonyms:
None
SMILES:
C(CCl)(=O)[C@@H]1[C@H](CC)CN(C(OCC2=CC=CC=C2)=O)C1
Tpsa:
46.61
Logp:
3.0891
H Acceptors:
3
H Donors:
0
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: C₂₄H₃₈O₄
Molecular Weight: 390.56
Synonyms: None
SMILES: C[C@@]12[C@]([C@]3(C([C@]4(C)[C@](CC3)(C[C@H](O)CC4)[H])=C[C@H]1O)[H])(CC[C@@]2([C@@H](CCC(O)=O)C)[H])[H]
Tpsa: 77.76
Logp: 4.398
H Acceptors: 3
H Donors: 3
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:
C₂₄H₃₈O₄
Molecular Weight:
390.56
Synonyms:
None
SMILES:
C[C@@]12[C@]([C@]3(C([C@]4(C)[C@](CC3)(C[C@H](O)CC4)[H])=C[C@H]1O)[H])(CC[C@@]2([C@@H](CCC(O)=O)C)[H])[H]
Tpsa:
77.76
Logp:
4.398
H Acceptors:
3
H Donors:
3
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: C₃₀H₁₈Br₂N₂O₄
Molecular Weight: 630.28
Synonyms: None
SMILES: O=C(C1=CC=C(Br)C=C1)C2=CC=CC3=C2NC(=O)C3C4C(=O)NC=5C(=CC=CC54)C(=O)C6=CC=C(Br)C=C6
Tpsa: 92.34
Logp: 6.4452
H Acceptors: 4
H Donors: 2
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:
C₃₀H₁₈Br₂N₂O₄
Molecular Weight:
630.28
Synonyms:
None
SMILES:
O=C(C1=CC=C(Br)C=C1)C2=CC=CC3=C2NC(=O)C3C4C(=O)NC=5C(=CC=CC54)C(=O)C6=CC=C(Br)C=C6
Tpsa:
92.34
Logp:
6.4452
H Acceptors:
4
H Donors:
2
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: C₅₀H₇₂N₂O₇
Molecular Weight: 813.12
Synonyms: None
SMILES: OC1=CC=C(C=C1CO)C(O)CN(CC2=CC(=CC=C2O)C(O)CNCCCCCCOCCCCC=3C=CC=CC3)CCCCCCOCCCCC=4C=CC=CC4
Tpsa: 134.88
Logp: 8.9485
H Acceptors: 9
H Donors: 6
Rotatable Bonds: 33
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅₀H₇₂N₂O₇
Molecular Weight:
813.12
Synonyms:
None
SMILES:
OC1=CC=C(C=C1CO)C(O)CN(CC2=CC(=CC=C2O)C(O)CNCCCCCCOCCCCC=3C=CC=CC3)CCCCCCOCCCCC=4C=CC=CC4
Tpsa:
134.88
Logp:
8.9485
H Acceptors:
9
H Donors:
6
Rotatable Bonds:
33