CS-1002883
Upadacitinib Impurity 9
Manufacturer: ChemScene
CAS Number: 2270173-65-2
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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
C₂₉H₂₉N₅O₄S
Molecular Weight
543.64
Synonyms
None
SMILES
S(=O)(=O)(N1C2=C(N3C(=CN=C3C=N2)[C@H]4[C@H](CC)CN(C(OCC5=CC=CC=C5)=O)C4)C=C1)C6=CC=C(C)C=C6
Tpsa
98.8
Logp
4.99162
H Acceptors
8
H Donors
0
Rotatable Bonds
6
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 2270173-65-2 | Benzyl (3S,4S)-3-ethyl-4-[5-(4-methylphenyl)sulfonyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]pyrrolidine-1-carboxylate | 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: C₂₉H₂₉N₅O₄S
Molecular Weight: 543.64
Synonyms: None
SMILES: S(=O)(=O)(N1C2=C(N3C(=CN=C3C=N2)[C@H]4[C@H](CC)CN(C(OCC5=CC=CC=C5)=O)C4)C=C1)C6=CC=C(C)C=C6
Tpsa: 98.8
Logp: 4.99162
H Acceptors: 8
H Donors: 0
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:
C₂₉H₂₉N₅O₄S
Molecular Weight:
543.64
Synonyms:
None
SMILES:
S(=O)(=O)(N1C2=C(N3C(=CN=C3C=N2)[C@H]4[C@H](CC)CN(C(OCC5=CC=CC=C5)=O)C4)C=C1)C6=CC=C(C)C=C6
Tpsa:
98.8
Logp:
4.99162
H Acceptors:
8
H Donors:
0
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: C₂₁H₂₃N₅O₂S
Molecular Weight: 409.50
Synonyms: None
SMILES: S(=O)(=O)(N1C2=C(N3C(=CN=C3C=N2)[C@H]4[C@H](CC)CNC4)C=C1)C5=CC=C(C)C=C5
Tpsa: 81.29
Logp: 2.94242
H Acceptors: 7
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:
C₂₁H₂₃N₅O₂S
Molecular Weight:
409.50
Synonyms:
None
SMILES:
S(=O)(=O)(N1C2=C(N3C(=CN=C3C=N2)[C@H]4[C@H](CC)CNC4)C=C1)C5=CC=C(C)C=C5
Tpsa:
81.29
Logp:
2.94242
H Acceptors:
7
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: C₇₈H₈₃Cl₂N₁₁O₉S
Molecular Weight: 1421.53
Synonyms: None
SMILES: O=C(NS(=O)(=O)C1=CC=C(NCC2CCOCC2)C(=C1)N(=O)=O)C3=CC=C(C=C3OC=4C=NC5=C(C=CN5C(=O)C6=CC=C(C=C6OC=7C=NC=8NC=CC8C7)N9CCN(CC%10=C(C=%11C=CC(Cl)=CC%11)CC(C)(C)CC%10)CC9)C4)N%12CCN(CC%13=C(C=%14C=CC(Cl)=CC%14)CC(C)(C)CC%13)CC%12
Tpsa: 222.63
Logp: 15.9297
H Acceptors: 17
H Donors: 3
Rotatable Bonds: 20
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇₈H₈₃Cl₂N₁₁O₉S
Molecular Weight:
1421.53
Synonyms:
None
SMILES:
O=C(NS(=O)(=O)C1=CC=C(NCC2CCOCC2)C(=C1)N(=O)=O)C3=CC=C(C=C3OC=4C=NC5=C(C=CN5C(=O)C6=CC=C(C=C6OC=7C=NC=8NC=CC8C7)N9CCN(CC%10=C(C=%11C=CC(Cl)=CC%11)CC(C)(C)CC%10)CC9)C4)N%12CCN(CC%13=C(C=%14C=CC(Cl)=CC%14)CC(C)(C)CC%13)CC%12
Tpsa:
222.63
Logp:
15.9297
H Acceptors:
17
H Donors:
3
Rotatable Bonds:
20
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₁₉FN₂O₃
Molecular Weight: 318.34
Synonyms: None
SMILES: C(N([C@H](C(N)=O)C)O)C1=CC=C(OCC2=CC(F)=CC=C2)C=C1
Tpsa: 75.79
Logp: 2.4697
H Acceptors: 4
H Donors: 2
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:
C₁₇H₁₉FN₂O₃
Molecular Weight:
318.34
Synonyms:
None
SMILES:
C(N([C@H](C(N)=O)C)O)C1=CC=C(OCC2=CC(F)=CC=C2)C=C1
Tpsa:
75.79
Logp:
2.4697
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
7