CS-1003166
Tofacitinib Impurity 176
Manufacturer: ChemScene
CAS Number: 2504210-34-6
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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
C₂₀H₂₆ClN₅
Molecular Weight
371.91
Synonyms
None
SMILES
N(C)(C1=C2C(=NC(Cl)=N1)NCC2)[C@H]3CN(CC4=CC=CC=C4)CC[C@H]3C
Tpsa
44.29
Logp
3.4448
H Acceptors
5
H Donors
1
Rotatable Bonds
4
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: C₂₀H₂₆ClN₅
Molecular Weight: 371.91
Synonyms: None
SMILES: N(C)(C1=C2C(=NC(Cl)=N1)NCC2)[C@H]3CN(CC4=CC=CC=C4)CC[C@H]3C
Tpsa: 44.29
Logp: 3.4448
H Acceptors: 5
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:
C₂₀H₂₆ClN₅
Molecular Weight:
371.91
Synonyms:
None
SMILES:
N(C)(C1=C2C(=NC(Cl)=N1)NCC2)[C@H]3CN(CC4=CC=CC=C4)CC[C@H]3C
Tpsa:
44.29
Logp:
3.4448
H Acceptors:
5
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: C₁₂H₅Cl₃N₆
Molecular Weight: 339.57
Synonyms: None
SMILES: ClC=1N=C(Cl)C=2C=CN(C2N1)C=3N=C(Cl)N=C4NC=CC43
Tpsa: 72.28
Logp: 3.652
H Acceptors: 5
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:
C₁₂H₅Cl₃N₆
Molecular Weight:
339.57
Synonyms:
None
SMILES:
ClC=1N=C(Cl)C=2C=CN(C2N1)C=3N=C(Cl)N=C4NC=CC43
Tpsa:
72.28
Logp:
3.652
H Acceptors:
5
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: C₂₀H₂₄ClN₅
Molecular Weight: 369.89
Synonyms: None
SMILES: ClC1=C2C(=NC(N(C)[C@@H]3CN(CC4=CC=CC=C4)CC[C@@H]3C)=N1)NC=C2
Tpsa: 48.05
Logp: 3.9581
H Acceptors: 4
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:
C₂₀H₂₄ClN₅
Molecular Weight:
369.89
Synonyms:
None
SMILES:
ClC1=C2C(=NC(N(C)[C@@H]3CN(CC4=CC=CC=C4)CC[C@@H]3C)=N1)NC=C2
Tpsa:
48.05
Logp:
3.9581
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
4
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₃H₃₆O₇
Molecular Weight: 424.53
Synonyms: None
SMILES: C(C[C@H](C[C@H](CC(O)=O)O)O)[C@@H]1[C@]2([C@@H](OC([C@H](CC)C)=O)C[C@@H](O)C=C2C=C[C@@H]1C)[H]
Tpsa: 124.29
Logp: 2.4404
H Acceptors: 6
H Donors: 4
Rotatable Bonds: 10
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₃H₃₆O₇
Molecular Weight:
424.53
Synonyms:
None
SMILES:
C(C[C@H](C[C@H](CC(O)=O)O)O)[C@@H]1[C@]2([C@@H](OC([C@H](CC)C)=O)C[C@@H](O)C=C2C=C[C@@H]1C)[H]
Tpsa:
124.29
Logp:
2.4404
H Acceptors:
6
H Donors:
4
Rotatable Bonds:
10