CS-1003337
Phenylmethyl (3S,4S)-3-[2-[(ethoxycarbonyl)[5-[(4-methylphenyl)sulfonyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]amino]acetyl]-4-ethyl-1-pyrrolidinecarboxylate
Manufacturer: ChemScene
CAS Number: 2715120-95-7
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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
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | Benzyl (3S,4S)-3-(N-(ethoxycarbonyl)-N-(5-tosyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)glycyl)-4-ethylpyrrolidine-1-carboxylate Impority | ChemScene | -- | |
 | 2715120-95-7 | | 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: 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
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₃H₃₁N₇O₃
Molecular Weight: 453.54
Synonyms: None
SMILES: N(C)(C1=C2C(=NC=N1)NC=C2)[C@H]3CN(C(CC(=C(C(OCCCC)=O)C#N)N)=O)CC[C@H]3C
Tpsa: 141.23
Logp: 2.10088
H Acceptors: 8
H Donors: 2
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₃H₃₁N₇O₃
Molecular Weight:
453.54
Synonyms:
None
SMILES:
N(C)(C1=C2C(=NC=N1)NC=C2)[C@H]3CN(C(CC(=C(C(OCCCC)=O)C#N)N)=O)CC[C@H]3C
Tpsa:
141.23
Logp:
2.10088
H Acceptors:
8
H Donors:
2
Rotatable Bonds:
8