CS-1005443
Difelikefalin Impurity 3
Manufacturer: ChemScene
CAS Number: 956977-18-7
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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
C₂₁H₃₁N₃O₄
Molecular Weight
389.49
Synonyms
None
SMILES
C([C@H](C(CC)C)N)(=O)N1CCC(C(N[C@@H](CC2=CC=CC=C2)C(O)=O)=O)CC1
Tpsa
112.73
Logp
1.4105
H Acceptors
4
H Donors
3
Rotatable Bonds
8
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: C₂₁H₃₁N₃O₄
Molecular Weight: 389.49
Synonyms: None
SMILES: C([C@H](C(CC)C)N)(=O)N1CCC(C(N[C@@H](CC2=CC=CC=C2)C(O)=O)=O)CC1
Tpsa: 112.73
Logp: 1.4105
H Acceptors: 4
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:
C₂₁H₃₁N₃O₄
Molecular Weight:
389.49
Synonyms:
None
SMILES:
C([C@H](C(CC)C)N)(=O)N1CCC(C(N[C@@H](CC2=CC=CC=C2)C(O)=O)=O)CC1
Tpsa:
112.73
Logp:
1.4105
H Acceptors:
4
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: C₂₄H₂₉N₃O₄
Molecular Weight: 423.50
Synonyms: None
SMILES: C([C@H](CC1=CC=CC=C1)N)(=O)N2CCC(C(N[C@@H](CC3=CC=CC=C3)C(O)=O)=O)CC2
Tpsa: 112.73
Logp: 1.6071
H Acceptors: 4
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:
C₂₄H₂₉N₃O₄
Molecular Weight:
423.50
Synonyms:
None
SMILES:
C([C@H](CC1=CC=CC=C1)N)(=O)N2CCC(C(N[C@@H](CC3=CC=CC=C3)C(O)=O)=O)CC2
Tpsa:
112.73
Logp:
1.6071
H Acceptors:
4
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: C₂₃H₂₈O₅
Molecular Weight: 384.47
Synonyms: None
SMILES: C[C@@]12[C@]3(CC[C@]1([C@]4(C(=CC2)[C@]5(C)C(C[C@H]4C(O)=O)=CC(=O)CC5)[H])[H])OC(=O)CC3
Tpsa: 80.67
Logp: 3.8249
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:
C₂₃H₂₈O₅
Molecular Weight:
384.47
Synonyms:
None
SMILES:
C[C@@]12[C@]3(CC[C@]1([C@]4(C(=CC2)[C@]5(C)C(C[C@H]4C(O)=O)=CC(=O)CC5)[H])[H])OC(=O)CC3
Tpsa:
80.67
Logp:
3.8249
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
1
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₅H₃₃ClO₅
Molecular Weight: 448.98
Synonyms: None
SMILES: O(C(CC)=O)[C@@]1(C(CCl)=O)[C@]2(C)[C@@](C[C@@H]1C)([C@]3([C@]([C@@H](O)C2)([C@]4(C)C(CC3)=CC(=O)C=C4)[H])[H])[H]
Tpsa: 80.67
Logp: 4.011
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 4
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₅H₃₃ClO₅
Molecular Weight:
448.98
Synonyms:
None
SMILES:
O(C(CC)=O)[C@@]1(C(CCl)=O)[C@]2(C)[C@@](C[C@@H]1C)([C@]3([C@]([C@@H](O)C2)([C@]4(C)C(CC3)=CC(=O)C=C4)[H])[H])[H]
Tpsa:
80.67
Logp:
4.011
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
4