CS-1000190
Difelikefalin Impurity 8
Manufacturer: ChemScene
CAS Number: 1024828-90-7
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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
C₃₉H₅₉N₇O₆
Molecular Weight
721.93
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)CCCCNC(C)C)(=O)N3CCC(C(O)=O)(N)CC3
Tpsa
208.98
Logp
1.8724
H Acceptors
8
H Donors
7
Rotatable Bonds
20
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: C₃₉H₅₉N₇O₆
Molecular Weight: 721.93
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)CCCCNC(C)C)(=O)N3CCC(C(O)=O)(N)CC3
Tpsa: 208.98
Logp: 1.8724
H Acceptors: 8
H Donors: 7
Rotatable Bonds: 20
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₉H₅₉N₇O₆
Molecular Weight:
721.93
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)CCCCNC(C)C)(=O)N3CCC(C(O)=O)(N)CC3
Tpsa:
208.98
Logp:
1.8724
H Acceptors:
8
H Donors:
7
Rotatable Bonds:
20
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₂₂F₃N
Molecular Weight: 357.41
Synonyms: None
SMILES: FC(F)(F)C=1C=CC=C(C1)CCCNC(C2=CC=CC=3C=CC=CC32)C
Tpsa: 12.03
Logp: 6.142
H Acceptors: 1
H Donors: 1
Rotatable Bonds: 6
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₂₂F₃N
Molecular Weight:
357.41
Synonyms:
None
SMILES:
FC(F)(F)C=1C=CC=C(C1)CCCNC(C2=CC=CC=3C=CC=CC32)C
Tpsa:
12.03
Logp:
6.142
H Acceptors:
1
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: C₁₆H₁₂O₄
Molecular Weight: 268.26
Synonyms: None
SMILES: O=C1OC(C(=O)OC1C=2C=CC=CC2)C=3C=CC=CC3
Tpsa: 52.6
Logp: 2.569
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₂O₄
Molecular Weight:
268.26
Synonyms:
None
SMILES:
O=C1OC(C(=O)OC1C=2C=CC=CC2)C=3C=CC=CC3
Tpsa:
52.6
Logp:
2.569
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₂₇I
Molecular Weight: 358.30
Synonyms: None
SMILES: ICCC1=CC=C(C=C1)CCCCCCCCC
Tpsa: 0
Logp: 5.9572
H Acceptors: 0
H Donors: 0
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:
C₁₇H₂₇I
Molecular Weight:
358.30
Synonyms:
None
SMILES:
ICCC1=CC=C(C=C1)CCCCCCCCC
Tpsa:
0
Logp:
5.9572
H Acceptors:
0
H Donors:
0
Rotatable Bonds:
10