CS-1003340
Tofacitinib Impurity 215
Manufacturer: ChemScene
CAS Number: 2716897-36-6
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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
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
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: 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
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₂N₄O₄
Molecular Weight: 252.23
Synonyms: None
SMILES: O=C1C2=C(N=CN2CC(=O)OC)N(C(=O)N1C)C
Tpsa: 88.12
Logp: -1.3933
H Acceptors: 8
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₂N₄O₄
Molecular Weight:
252.23
Synonyms:
None
SMILES:
O=C1C2=C(N=CN2CC(=O)OC)N(C(=O)N1C)C
Tpsa:
88.12
Logp:
-1.3933
H Acceptors:
8
H Donors:
0
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₅NO₃
Molecular Weight: 209.24
Synonyms: None
SMILES: [C@@H](CNC)(O)C1=CC(OC(C)=O)=CC=C1
Tpsa: 58.56
Logp: 0.8647
H Acceptors: 4
H Donors: 2
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:
C₁₁H₁₅NO₃
Molecular Weight:
209.24
Synonyms:
None
SMILES:
[C@@H](CNC)(O)C1=CC(OC(C)=O)=CC=C1
Tpsa:
58.56
Logp:
0.8647
H Acceptors:
4
H Donors:
2
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: C₁₁H₁₁NO₄
Molecular Weight: 221.21
Synonyms: None
SMILES: C([C@H]1C(=O)OCC(=O)N1)C2=CC=C(O)C=C2
Tpsa: 75.63
Logp: -0.0237
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₁NO₄
Molecular Weight:
221.21
Synonyms:
None
SMILES:
C([C@H]1C(=O)OCC(=O)N1)C2=CC=C(O)C=C2
Tpsa:
75.63
Logp:
-0.0237
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
2