CS-1000578
Difelikefalin Impurity 2
Manufacturer: ChemScene
CAS Number: 1173674-34-4
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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](CC(C)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
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: C₂₁H₃₁N₃O₄
Molecular Weight: 389.49
Synonyms: None
SMILES: C([C@H](CC(C)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](CC(C)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: C₁₆H₁₆N₄
Molecular Weight: 264.33
Synonyms: None
SMILES: N#CC1=CC=CN=C1N2CCNC(C=3C=CC=CC3)C2
Tpsa: 51.95
Logp: 2.10418
H Acceptors: 4
H Donors: 1
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:
C₁₆H₁₆N₄
Molecular Weight:
264.33
Synonyms:
None
SMILES:
N#CC1=CC=CN=C1N2CCNC(C=3C=CC=CC3)C2
Tpsa:
51.95
Logp:
2.10418
H Acceptors:
4
H Donors:
1
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: C₂₄H₃₁NO₄
Molecular Weight: 397.51
Synonyms: None
SMILES: C([C@@H](NC(OC(C)(C)C)=O)C[C@H](C(OC)=O)C)C1=CC=C(C=C1)C2=CC=CC=C2
Tpsa: 64.63
Logp: 4.9886
H Acceptors: 4
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:
C₂₄H₃₁NO₄
Molecular Weight:
397.51
Synonyms:
None
SMILES:
C([C@@H](NC(OC(C)(C)C)=O)C[C@H](C(OC)=O)C)C1=CC=C(C=C1)C2=CC=CC=C2
Tpsa:
64.63
Logp:
4.9886
H Acceptors:
4
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: C₆H₁₃NO
Molecular Weight: 115.17
Synonyms: None
SMILES: OC1N(CC)CCC1
Tpsa: 23.47
Logp: 0.4205
H Acceptors: 2
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:
C₆H₁₃NO
Molecular Weight:
115.17
Synonyms:
None
SMILES:
OC1N(CC)CCC1
Tpsa:
23.47
Logp:
0.4205
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1