CS-1003433
Baricitinib Impurity 84
Manufacturer: ChemScene
CAS Number: 2821844-77-1
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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
C₇H₆ClN₃O
Molecular Weight
183.60
Synonyms
None
SMILES
ClC1=NC=NC2=C1C=CN2CO
Tpsa
50.94
Logp
1.0345
H Acceptors
4
H Donors
1
Rotatable Bonds
1
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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: C₇H₆ClN₃O
Molecular Weight: 183.60
Synonyms: None
SMILES: ClC1=NC=NC2=C1C=CN2CO
Tpsa: 50.94
Logp: 1.0345
H Acceptors: 4
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:
C₇H₆ClN₃O
Molecular Weight:
183.60
Synonyms:
None
SMILES:
ClC1=NC=NC2=C1C=CN2CO
Tpsa:
50.94
Logp:
1.0345
H Acceptors:
4
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: C₆H₁₂O₅
Molecular Weight: 164.16
Synonyms: None
SMILES: C(O)[C@H]1[C@@H](O)[C@H](O)[C@H](CO)O1
Tpsa: 90.15
Logp: -2.5398
H Acceptors: 5
H Donors: 4
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:
C₆H₁₂O₅
Molecular Weight:
164.16
Synonyms:
None
SMILES:
C(O)[C@H]1[C@@H](O)[C@H](O)[C@H](CO)O1
Tpsa:
90.15
Logp:
-2.5398
H Acceptors:
5
H Donors:
4
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: C₁₄H₁₆N₂O₈S
Molecular Weight: 372.35
Synonyms: None
SMILES: C(O)(=O)C=1N2[C@@]([C@H](NC(CCCC(C(O)=O)=O)=O)C2=O)(SCC1CO)[H]
Tpsa: 161.31
Logp: -1.4587
H Acceptors: 7
H Donors: 4
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:
C₁₄H₁₆N₂O₈S
Molecular Weight:
372.35
Synonyms:
None
SMILES:
C(O)(=O)C=1N2[C@@]([C@H](NC(CCCC(C(O)=O)=O)=O)C2=O)(SCC1CO)[H]
Tpsa:
161.31
Logp:
-1.4587
H Acceptors:
7
H Donors:
4
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: C₂₄H₁₈Cl₂N₄O₅
Molecular Weight: 513.33
Synonyms: None
SMILES: O=C(N)C1=CC=2C(=NC=CC2OC3=CC=C(NC(=O)NC4=CC=C(O)C=C4Cl)C(Cl)=C3)C=C1OC
Tpsa: 135.8
Logp: 5.791
H Acceptors: 6
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:
C₂₄H₁₈Cl₂N₄O₅
Molecular Weight:
513.33
Synonyms:
None
SMILES:
O=C(N)C1=CC=2C(=NC=CC2OC3=CC=C(NC(=O)NC4=CC=C(O)C=C4Cl)C(Cl)=C3)C=C1OC
Tpsa:
135.8
Logp:
5.791
H Acceptors:
6
H Donors:
4
Rotatable Bonds:
6