CS-1001798
Tofacitinib Impurity 111
Manufacturer: ChemScene
CAS Number: 1615709-90-4
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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
C₁₄H₁₇ClN₂
Molecular Weight
248.75
Synonyms
None
SMILES
[Cl-].C=1C=CC(=CC1)C[N+]2=CC=C(C(=C2)NC)C
Tpsa
15.91
Logp
-0.62348
H Acceptors
1
H Donors
1
Rotatable Bonds
3
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 1615709-90-4 | 1-Benzyl-4-methyl-3-(methylamino)pyridin-1-ium chloride | A2B Chem | -- |
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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: C₁₄H₁₇ClN₂
Molecular Weight: 248.75
Synonyms: None
SMILES: [Cl-].C=1C=CC(=CC1)C[N+]2=CC=C(C(=C2)NC)C
Tpsa: 15.91
Logp: -0.62348
H Acceptors: 1
H Donors: 1
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:
C₁₄H₁₇ClN₂
Molecular Weight:
248.75
Synonyms:
None
SMILES:
[Cl-].C=1C=CC(=CC1)C[N+]2=CC=C(C(=C2)NC)C
Tpsa:
15.91
Logp:
-0.62348
H Acceptors:
1
H Donors:
1
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: C₂₃H₂₇ClO₇
Molecular Weight: 450.91
Synonyms: None
SMILES: O(C(C)=O)[C@H]1[C@@H](O[C@H](CO)[C@@H](O)[C@@H]1O)C2=CC(CC3=CC=C(OCC)C=C3)=C(Cl)C=C2
Tpsa: 105.45
Logp: 2.4152
H Acceptors: 7
H Donors: 3
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:
C₂₃H₂₇ClO₇
Molecular Weight:
450.91
Synonyms:
None
SMILES:
O(C(C)=O)[C@H]1[C@@H](O[C@H](CO)[C@@H](O)[C@@H]1O)C2=CC(CC3=CC=C(OCC)C=C3)=C(Cl)C=C2
Tpsa:
105.45
Logp:
2.4152
H Acceptors:
7
H Donors:
3
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: C₁₅H₁₇N₃O₅
Molecular Weight: 319.31
Synonyms: None
SMILES: O=C1N(C[C@H](CNC=O)O1)C2=CC=C(C=C2)N3C(=O)COCC3
Tpsa: 88.18
Logp: 0.121
H Acceptors: 5
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:
C₁₅H₁₇N₃O₅
Molecular Weight:
319.31
Synonyms:
None
SMILES:
O=C1N(C[C@H](CNC=O)O1)C2=CC=C(C=C2)N3C(=O)COCC3
Tpsa:
88.18
Logp:
0.121
H Acceptors:
5
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: C₁₃H₁₆O₅
Molecular Weight: 252.26
Synonyms: None
SMILES: O=C(O)C1=CC=C(C=C1OCC)CC(=O)OCC
Tpsa: 72.83
Logp: 1.8891
H Acceptors: 4
H Donors: 1
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:
C₁₃H₁₆O₅
Molecular Weight:
252.26
Synonyms:
None
SMILES:
O=C(O)C1=CC=C(C=C1OCC)CC(=O)OCC
Tpsa:
72.83
Logp:
1.8891
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
6