CS-1003168
Tofacitinib Impurity 164
Manufacturer: ChemScene
CAS Number: 2504210-49-3
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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
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
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: 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
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₄O₃S
Molecular Weight: 214.28
Synonyms: None
SMILES: O=S(=O)(OC1=CC=C(C=C1)C)C(C)C
Tpsa: 43.37
Logp: 2.11202
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₄O₃S
Molecular Weight:
214.28
Synonyms:
None
SMILES:
O=S(=O)(OC1=CC=C(C=C1)C)C(C)C
Tpsa:
43.37
Logp:
2.11202
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₃H₂₉N₃O₂
Molecular Weight: 379.50
Synonyms: None
SMILES: O=C(NC=1C(=CC=CC1C)C)C2N(C=3C=CC=CC3C)C(=O)C(N2CCC)C
Tpsa: 52.65
Logp: 4.02376
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₃H₂₉N₃O₂
Molecular Weight:
379.50
Synonyms:
None
SMILES:
O=C(NC=1C(=CC=CC1C)C)C2N(C=3C=CC=CC3C)C(=O)C(N2CCC)C
Tpsa:
52.65
Logp:
4.02376
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
5