CS-1002766
Difelikefalin Impurity 11
Manufacturer: ChemScene
CAS Number: 2219351-45-6
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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
C₃₉H₆₀N₈O₆
Molecular Weight
736.94
Synonyms
None
SMILES
C([C@H](NC([C@H](NC([C@@H](CC1=CC=CC=C1)NC([C@@H](CC2=CC=CC=C2)N)=O)=O)CC(C)C)=O)CCCCNCCCN)(=O)N3CCC(C(O)=O)(N)CC3
Tpsa
235
Logp
0.8128
H Acceptors
9
H Donors
8
Rotatable Bonds
22
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: C₃₉H₆₀N₈O₆
Molecular Weight: 736.94
Synonyms: None
SMILES: C([C@H](NC([C@H](NC([C@@H](CC1=CC=CC=C1)NC([C@@H](CC2=CC=CC=C2)N)=O)=O)CC(C)C)=O)CCCCNCCCN)(=O)N3CCC(C(O)=O)(N)CC3
Tpsa: 235
Logp: 0.8128
H Acceptors: 9
H Donors: 8
Rotatable Bonds: 22
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₉H₆₀N₈O₆
Molecular Weight:
736.94
Synonyms:
None
SMILES:
C([C@H](NC([C@H](NC([C@@H](CC1=CC=CC=C1)NC([C@@H](CC2=CC=CC=C2)N)=O)=O)CC(C)C)=O)CCCCNCCCN)(=O)N3CCC(C(O)=O)(N)CC3
Tpsa:
235
Logp:
0.8128
H Acceptors:
9
H Donors:
8
Rotatable Bonds:
22
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₈H₅₈N₈O₆
Molecular Weight: 722.92
Synonyms: None
SMILES: C([C@H](NC([C@H](NC([C@@H](CC1=CC=CC=C1)NC([C@@H](CC2=CC=CC=C2)NCCN)=O)=O)CC(C)C)=O)CCCCN)(=O)N3CCC(C(O)=O)(N)CC3
Tpsa: 235
Logp: 0.4227
H Acceptors: 9
H Donors: 8
Rotatable Bonds: 21
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₈H₅₈N₈O₆
Molecular Weight:
722.92
Synonyms:
None
SMILES:
C([C@H](NC([C@H](NC([C@@H](CC1=CC=CC=C1)NC([C@@H](CC2=CC=CC=C2)NCCN)=O)=O)CC(C)C)=O)CCCCN)(=O)N3CCC(C(O)=O)(N)CC3
Tpsa:
235
Logp:
0.4227
H Acceptors:
9
H Donors:
8
Rotatable Bonds:
21
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₂₇N₃O₈S
Molecular Weight: 493.53
Synonyms: None
SMILES: [C@H]([C@@H](C)O)(C(O)=O)[C@]1([C@@H](C)[C@@H](S[C@H]2C[C@@H](C(NC3=CC(C(O)=O)=CC=C3)=O)NC2)C(C(O)=O)=N1)[H]
Tpsa: 185.62
Logp: 0.7811
H Acceptors: 8
H Donors: 6
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:
C₂₂H₂₇N₃O₈S
Molecular Weight:
493.53
Synonyms:
None
SMILES:
[C@H]([C@@H](C)O)(C(O)=O)[C@]1([C@@H](C)[C@@H](S[C@H]2C[C@@H](C(NC3=CC(C(O)=O)=CC=C3)=O)NC2)C(C(O)=O)=N1)[H]
Tpsa:
185.62
Logp:
0.7811
H Acceptors:
8
H Donors:
6
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: C₂₀H₁₉N₃O₄
Molecular Weight: 365.38
Synonyms: None
SMILES: C#CC1=CC=CC(=C1)NC=2N=CN=C3C=C(OCCOCCO)C(O)=CC32
Tpsa: 96.73
Logp: 2.448
H Acceptors: 7
H Donors: 3
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:
C₂₀H₁₉N₃O₄
Molecular Weight:
365.38
Synonyms:
None
SMILES:
C#CC1=CC=CC(=C1)NC=2N=CN=C3C=C(OCCOCCO)C(O)=CC32
Tpsa:
96.73
Logp:
2.448
H Acceptors:
7
H Donors:
3
Rotatable Bonds:
8