CS-1002926
Lifitegrast Impurity 13
Manufacturer: ChemScene
CAS Number: 2295862-00-7
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Purity
95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₂₉H₂₆N₂O₇S
Molecular Weight
546.59
Synonyms
None
SMILES
C(=O)(N1CC=2C(=CC(C(N[C@@H](CC3=CC(S(C)(=O)=O)=CC=C3)C(O)=O)=O)=CC2)CC1)C=4C=C5C(=CC4)C=CO5
Tpsa
133.99
Logp
3.4605
H Acceptors
6
H Donors
2
Rotatable Bonds
7
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 2295862-00-7 | Lifitegrast impurity D | A2B Chem | -- |
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
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Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₉H₂₆N₂O₇S
Molecular Weight: 546.59
Synonyms: None
SMILES: C(=O)(N1CC=2C(=CC(C(N[C@@H](CC3=CC(S(C)(=O)=O)=CC=C3)C(O)=O)=O)=CC2)CC1)C=4C=C5C(=CC4)C=CO5
Tpsa: 133.99
Logp: 3.4605
H Acceptors: 6
H Donors: 2
Rotatable Bonds: 7
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₉H₂₆N₂O₇S
Molecular Weight:
546.59
Synonyms:
None
SMILES:
C(=O)(N1CC=2C(=CC(C(N[C@@H](CC3=CC(S(C)(=O)=O)=CC=C3)C(O)=O)=O)=CC2)CC1)C=4C=C5C(=CC4)C=CO5
Tpsa:
133.99
Logp:
3.4605
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
7
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₁H₂₈Cl₂N₂O₇S
Molecular Weight: 643.53
Synonyms: None
SMILES: ClC1=C2C(CN(C(=O)C=3C=C4C(=CC3)C=CO4)CC2)=CC(Cl)=C1C(N[C@@H](CC5=CC(S(C)(=O)=O)=CC=C5)C(OCC)=O)=O
Tpsa: 122.99
Logp: 5.2458
H Acceptors: 7
H Donors: 1
Rotatable Bonds: 8
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₁H₂₈Cl₂N₂O₇S
Molecular Weight:
643.53
Synonyms:
None
SMILES:
ClC1=C2C(CN(C(=O)C=3C=C4C(=CC3)C=CO4)CC2)=CC(Cl)=C1C(N[C@@H](CC5=CC(S(C)(=O)=O)=CC=C5)C(OCC)=O)=O
Tpsa:
122.99
Logp:
5.2458
H Acceptors:
7
H Donors:
1
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: C₃₀H₂₆Cl₂N₂O₇S
Molecular Weight: 629.51
Synonyms: None
SMILES: ClC1=C2C(CN(C(=O)C=3C=C4C(=CC3)C=CO4)CC2)=CC(Cl)=C1C(N[C@@H](CC5=CC(S(C)(=O)=O)=CC=C5)C(OC)=O)=O
Tpsa: 122.99
Logp: 4.8557
H Acceptors: 7
H Donors: 1
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:
C₃₀H₂₆Cl₂N₂O₇S
Molecular Weight:
629.51
Synonyms:
None
SMILES:
ClC1=C2C(CN(C(=O)C=3C=C4C(=CC3)C=CO4)CC2)=CC(Cl)=C1C(N[C@@H](CC5=CC(S(C)(=O)=O)=CC=C5)C(OC)=O)=O
Tpsa:
122.99
Logp:
4.8557
H Acceptors:
7
H Donors:
1
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₂₃Cl₂NO₂
Molecular Weight: 344.28
Synonyms: None
SMILES: O=C1N(C2=CC(OCCCCCl)=CC=C2CC1)CCCCCl
Tpsa: 29.54
Logp: 4.3826
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₂₃Cl₂NO₂
Molecular Weight:
344.28
Synonyms:
None
SMILES:
O=C1N(C2=CC(OCCCCCl)=CC=C2CC1)CCCCCl
Tpsa:
29.54
Logp:
4.3826
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
9