CS-1002576
Tofacitinib Impurity 146
Manufacturer: ChemScene
CAS Number: 2102040-00-4
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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
C₃₂H₄₀N₁₂O₂
Molecular Weight
624.74
Synonyms
None
SMILES
N(C)(C1=C2C(NC=C2)=NC=N1)[C@H]3CN(C(C(C(CC(=O)N4C[C@H](N(C)C5=C6C(NC=C6)=NC=N5)[C@H](C)CC4)=N)C#N)=O)CC[C@H]3C
Tpsa
177.88
Logp
2.82545
H Acceptors
10
H Donors
3
Rotatable Bonds
8
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: C₃₂H₄₀N₁₂O₂
Molecular Weight: 624.74
Synonyms: None
SMILES: N(C)(C1=C2C(NC=C2)=NC=N1)[C@H]3CN(C(C(C(CC(=O)N4C[C@H](N(C)C5=C6C(NC=C6)=NC=N5)[C@H](C)CC4)=N)C#N)=O)CC[C@H]3C
Tpsa: 177.88
Logp: 2.82545
H Acceptors: 10
H Donors: 3
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:
C₃₂H₄₀N₁₂O₂
Molecular Weight:
624.74
Synonyms:
None
SMILES:
N(C)(C1=C2C(NC=C2)=NC=N1)[C@H]3CN(C(C(C(CC(=O)N4C[C@H](N(C)C5=C6C(NC=C6)=NC=N5)[C@H](C)CC4)=N)C#N)=O)CC[C@H]3C
Tpsa:
177.88
Logp:
2.82545
H Acceptors:
10
H Donors:
3
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: C₂₃H₃₇NO₂
Molecular Weight: 359.55
Synonyms: None
SMILES: C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@@](CC3)(C[C@@]5([C@](C4)(O5)[H])[H])[H])(CC1)[H])[H])(C[C@@H]([C@@H]2O)N6CCCC6)[H]
Tpsa: 36
Logp: 3.8416
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₃H₃₇NO₂
Molecular Weight:
359.55
Synonyms:
None
SMILES:
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@@](CC3)(C[C@@]5([C@](C4)(O5)[H])[H])[H])(CC1)[H])[H])(C[C@@H]([C@@H]2O)N6CCCC6)[H]
Tpsa:
36
Logp:
3.8416
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₂₀N₂
Molecular Weight: 216.32
Synonyms: None
SMILES: C(N1C[C@@]2([C@@](C1)(NCCC2)[H])[H])C3=CC=CC=C3
Tpsa: 15.27
Logp: 1.8704
H Acceptors: 2
H Donors: 1
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:
C₁₄H₂₀N₂
Molecular Weight:
216.32
Synonyms:
None
SMILES:
C(N1C[C@@]2([C@@](C1)(NCCC2)[H])[H])C3=CC=CC=C3
Tpsa:
15.27
Logp:
1.8704
H Acceptors:
2
H Donors:
1
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: C₃H₉N₃O
Molecular Weight: 103.12
Synonyms: None
SMILES: O=C(NN)CCN
Tpsa: 81.14
Logp: -1.6749
H Acceptors: 3
H Donors: 3
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:
C₃H₉N₃O
Molecular Weight:
103.12
Synonyms:
None
SMILES:
O=C(NN)CCN
Tpsa:
81.14
Logp:
-1.6749
H Acceptors:
3
H Donors:
3
Rotatable Bonds:
2