CS-1000617
Baricitinib Impurity 16
Manufacturer: ChemScene
CAS Number: 1187594-16-6
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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
C₁₄H₁₃N₇
Molecular Weight
279.30
Synonyms
None
SMILES
N#CCC1(N2N=CC(=C2)C=3N=CN=C4NC=CC43)CNC1
Tpsa
95.21
Logp
1.03358
H Acceptors
6
H Donors
2
Rotatable Bonds
3
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: C₁₄H₁₃N₇
Molecular Weight: 279.30
Synonyms: None
SMILES: N#CCC1(N2N=CC(=C2)C=3N=CN=C4NC=CC43)CNC1
Tpsa: 95.21
Logp: 1.03358
H Acceptors: 6
H Donors: 2
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:
C₁₄H₁₃N₇
Molecular Weight:
279.30
Synonyms:
None
SMILES:
N#CCC1(N2N=CC(=C2)C=3N=CN=C4NC=CC43)CNC1
Tpsa:
95.21
Logp:
1.03358
H Acceptors:
6
H Donors:
2
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: C₁₇H₁₉N₇O₂S
Molecular Weight: 385.44
Synonyms: None
SMILES: N#CCC1(N2N=CC(=C2)C=3N=CN=C4NC=CC43)CN(C1)S(=O)(=O)CCC
Tpsa: 120.56
Logp: 1.48578
H Acceptors: 7
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:
C₁₇H₁₉N₇O₂S
Molecular Weight:
385.44
Synonyms:
None
SMILES:
N#CCC1(N2N=CC(=C2)C=3N=CN=C4NC=CC43)CN(C1)S(=O)(=O)CCC
Tpsa:
120.56
Logp:
1.48578
H Acceptors:
7
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: C₁₉H₁₇FO₆
Molecular Weight: 360.33
Synonyms: None
SMILES: O(C(=O)C1=CC=CC=C1)[C@@H]2[C@H](O)[C@@H](COC(=O)C3=CC=CC=C3)O[C@H]2F
Tpsa: 82.06
Logp: 2.1243
H Acceptors: 6
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:
C₁₉H₁₇FO₆
Molecular Weight:
360.33
Synonyms:
None
SMILES:
O(C(=O)C1=CC=CC=C1)[C@@H]2[C@H](O)[C@@H](COC(=O)C3=CC=CC=C3)O[C@H]2F
Tpsa:
82.06
Logp:
2.1243
H Acceptors:
6
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: C₁₇H₁₇NO₆
Molecular Weight: 331.32
Synonyms: None
SMILES: O=C(C1=CC=C(O)C(O)=C1)CN(C)CC(=O)C2=CC=C(O)C(O)=C2
Tpsa: 118.3
Logp: 1.5064
H Acceptors: 7
H Donors: 4
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:
C₁₇H₁₇NO₆
Molecular Weight:
331.32
Synonyms:
None
SMILES:
O=C(C1=CC=C(O)C(O)=C1)CN(C)CC(=O)C2=CC=C(O)C(O)=C2
Tpsa:
118.3
Logp:
1.5064
H Acceptors:
7
H Donors:
4
Rotatable Bonds:
6