CS-1003396
Upadacitinib Impurity 8
Manufacturer: ChemScene
CAS Number: 2768445-17-4
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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
C₃₄H₃₉N₅O₇S
Molecular Weight
661.77
Synonyms
None
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(OC(C)(C)C)=O)=CN2)C=C1)C5=CC=C(C)C=C5
Tpsa
141
Logp
5.58212
H Acceptors
10
H Donors
0
Rotatable Bonds
9
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 2768445-17-4 | Phenylmethyl (3S,4S)-3-[2-[[(1,1-dimethylethoxy)carbonyl][5-[(4-methylphenyl)sulfonyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]amino]acetyl]-4-ethyl-1-pyrrolidinecarboxylate | A2B Chem | -- |
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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: C₃₄H₃₉N₅O₇S
Molecular Weight: 661.77
Synonyms: None
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(OC(C)(C)C)=O)=CN2)C=C1)C5=CC=C(C)C=C5
Tpsa: 141
Logp: 5.58212
H Acceptors: 10
H Donors: 0
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₄H₃₉N₅O₇S
Molecular Weight:
661.77
Synonyms:
None
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(OC(C)(C)C)=O)=CN2)C=C1)C5=CC=C(C)C=C5
Tpsa:
141
Logp:
5.58212
H Acceptors:
10
H Donors:
0
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₁₅NO₂
Molecular Weight: 241.29
Synonyms: None
SMILES: C(=O)(C=1N2C([C@H](CO)CC2)=CC1)C3=CC=CC=C3
Tpsa: 42.23
Logp: 2.1987
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₅NO₂
Molecular Weight:
241.29
Synonyms:
None
SMILES:
C(=O)(C=1N2C([C@H](CO)CC2)=CC1)C3=CC=CC=C3
Tpsa:
42.23
Logp:
2.1987
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₁H₃₇ClO₁₀
Molecular Weight: 605.07
Synonyms: None
SMILES: O(C(C)=O)[C@H]1[C@@H](O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)C2=CC(CC3=CC(CC)=C(OCC)C=C3)=C(Cl)C=C2
Tpsa: 123.66
Logp: 4.69
H Acceptors: 10
H Donors: 0
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₁H₃₇ClO₁₀
Molecular Weight:
605.07
Synonyms:
None
SMILES:
O(C(C)=O)[C@H]1[C@@H](O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)C2=CC(CC3=CC(CC)=C(OCC)C=C3)=C(Cl)C=C2
Tpsa:
123.66
Logp:
4.69
H Acceptors:
10
H Donors:
0
Rotatable Bonds:
11
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₂₂O₄
Molecular Weight: 230.30
Synonyms: None
SMILES: O=C(OC)C(C(=O)OCC)(CCC)CCC
Tpsa: 52.6
Logp: 2.3091
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:
C₁₂H₂₂O₄
Molecular Weight:
230.30
Synonyms:
None
SMILES:
O=C(OC)C(C(=O)OCC)(CCC)CCC
Tpsa:
52.6
Logp:
2.3091
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
7