CS-1004507
Lipoic Acid Impurity39
Manufacturer: ChemScene
CAS Number: 6718-96-3
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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
C₁₆H₂₈O₄S₄
Molecular Weight
412.65
Synonyms
None
SMILES
O=C(O)CCCCC1SSC(CCSSCC1)CCCCC(=O)O
Tpsa
74.6
Logp
5.5702
H Acceptors
6
H Donors
2
Rotatable Bonds
10
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: C₁₆H₂₈O₄S₄
Molecular Weight: 412.65
Synonyms: None
SMILES: O=C(O)CCCCC1SSC(CCSSCC1)CCCCC(=O)O
Tpsa: 74.6
Logp: 5.5702
H Acceptors: 6
H Donors: 2
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₂₈O₄S₄
Molecular Weight:
412.65
Synonyms:
None
SMILES:
O=C(O)CCCCC1SSC(CCSSCC1)CCCCC(=O)O
Tpsa:
74.6
Logp:
5.5702
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
10
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₂₅ClF₂O₄
Molecular Weight: 426.88
Synonyms: None
SMILES: F[C@@]12[C@]([C@]3([C@](C)(C[C@@H]1O)C(=C(C=O)O)[C@H](C)C3)[H])(C[C@H](F)C=4[C@]2(C)C=C(Cl)C(=O)C4)[H]
Tpsa: 74.6
Logp: 4.1287
H Acceptors: 4
H Donors: 2
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:
C₂₂H₂₅ClF₂O₄
Molecular Weight:
426.88
Synonyms:
None
SMILES:
F[C@@]12[C@]([C@]3([C@](C)(C[C@@H]1O)C(=C(C=O)O)[C@H](C)C3)[H])(C[C@H](F)C=4[C@]2(C)C=C(Cl)C(=O)C4)[H]
Tpsa:
74.6
Logp:
4.1287
H Acceptors:
4
H Donors:
2
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: C₉H₁₇N₃O₄
Molecular Weight: 231.25
Synonyms: None
SMILES: [C@H](NC([C@@H](NC)C)=O)(CCC(N)=O)C(O)=O
Tpsa: 121.52
Logp: -1.5708
H Acceptors: 4
H Donors: 4
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:
C₉H₁₇N₃O₄
Molecular Weight:
231.25
Synonyms:
None
SMILES:
[C@H](NC([C@@H](NC)C)=O)(CCC(N)=O)C(O)=O
Tpsa:
121.52
Logp:
-1.5708
H Acceptors:
4
H Donors:
4
Rotatable Bonds:
7
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₁₆N₂O₃
Molecular Weight: 308.33
Synonyms: None
SMILES: O=C(OC1=NC(C=2C=CC=CC2)=C(O1)C=3C=CC=CC3)N(C)C
Tpsa: 55.57
Logp: 4.069
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 3
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₁₆N₂O₃
Molecular Weight:
308.33
Synonyms:
None
SMILES:
O=C(OC1=NC(C=2C=CC=CC2)=C(O1)C=3C=CC=CC3)N(C)C
Tpsa:
55.57
Logp:
4.069
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
3