CS-1002928
Lifitegrast Impurity 2
Manufacturer: ChemScene
CAS Number: 2295862-29-0
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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
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
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 2295862-29-0 | Methyl (S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(3-(methylsulfonyl)phenyl)propanoate | 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
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: 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
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₉H₃₂N₂O₅
Molecular Weight: 368.47
Synonyms: None
SMILES: N(C(OC(C)(C)C)=O)[C@@H]1[C@@]2([C@]([C@H](C(OCC)=O)C1)(ON=C2C(CC)CC)[H])[H]
Tpsa: 86.22
Logp: 3.2699
H Acceptors: 6
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:
C₁₉H₃₂N₂O₅
Molecular Weight:
368.47
Synonyms:
None
SMILES:
N(C(OC(C)(C)C)=O)[C@@H]1[C@@]2([C@]([C@H](C(OCC)=O)C1)(ON=C2C(CC)CC)[H])[H]
Tpsa:
86.22
Logp:
3.2699
H Acceptors:
6
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: C₁₄H₂₆N₄O₄
Molecular Weight: 314.38
Synonyms: None
SMILES: [C@@H](CCCC)(NC(C)=O)[C@]1([C@H](NC(=N)N)C[C@H](C(O)=O)[C@H]1O)[H]
Tpsa: 148.53
Logp: -0.38543
H Acceptors: 4
H Donors: 6
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:
C₁₄H₂₆N₄O₄
Molecular Weight:
314.38
Synonyms:
None
SMILES:
[C@@H](CCCC)(NC(C)=O)[C@]1([C@H](NC(=N)N)C[C@H](C(O)=O)[C@H]1O)[H]
Tpsa:
148.53
Logp:
-0.38543
H Acceptors:
4
H Donors:
6
Rotatable Bonds:
7