CS-1001851
Ezetimibe Impurity 72
Manufacturer: ChemScene
CAS Number: 163380-15-2
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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
C₃₁H₂₇F₂NO₃
Molecular Weight
499.55
Synonyms
None
SMILES
C(C[C@@H](O)C1=CC=C(F)C=C1)[C@@H]2[C@H](N(C2=O)C3=CC=C(F)C=C3)C4=CC=C(OCC5=CC=CC=C5)C=C4
Tpsa
49.77
Logp
6.7617
H Acceptors
3
H Donors
1
Rotatable Bonds
9
Related Products
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: C₃₁H₂₇F₂NO₃
Molecular Weight: 499.55
Synonyms: None
SMILES: C(C[C@@H](O)C1=CC=C(F)C=C1)[C@@H]2[C@H](N(C2=O)C3=CC=C(F)C=C3)C4=CC=C(OCC5=CC=CC=C5)C=C4
Tpsa: 49.77
Logp: 6.7617
H Acceptors: 3
H Donors: 1
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:
C₃₁H₂₇F₂NO₃
Molecular Weight:
499.55
Synonyms:
None
SMILES:
C(C[C@@H](O)C1=CC=C(F)C=C1)[C@@H]2[C@H](N(C2=O)C3=CC=C(F)C=C3)C4=CC=C(OCC5=CC=CC=C5)C=C4
Tpsa:
49.77
Logp:
6.7617
H Acceptors:
3
H Donors:
1
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: C₃₁H₅₁NO₅
Molecular Weight: 517.74
Synonyms: None
SMILES: O(C(C(CC)(C)C)=O)[C@@H]1[C@]2(C(C=C[C@H](C)[C@@H]2CC[C@H](C[C@H](CC(NC3CCCCC3)=O)O)O)=C[C@H](C)C1)[H]
Tpsa: 95.86
Logp: 5.47
H Acceptors: 5
H Donors: 3
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₁H₅₁NO₅
Molecular Weight:
517.74
Synonyms:
None
SMILES:
O(C(C(CC)(C)C)=O)[C@@H]1[C@]2(C(C=C[C@H](C)[C@@H]2CC[C@H](C[C@H](CC(NC3CCCCC3)=O)O)O)=C[C@H](C)C1)[H]
Tpsa:
95.86
Logp:
5.47
H Acceptors:
5
H Donors:
3
Rotatable Bonds:
11
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₆Cl₂N₂O₃
Molecular Weight: 249.05
Synonyms: None
SMILES: O=C(NC1=CC=C(C=C1)N(=O)=O)C(Cl)Cl
Tpsa: 72.24
Logp: 2.337
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₆Cl₂N₂O₃
Molecular Weight:
249.05
Synonyms:
None
SMILES:
O=C(NC1=CC=C(C=C1)N(=O)=O)C(Cl)Cl
Tpsa:
72.24
Logp:
2.337
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₆H₂₅N₅O₃
Molecular Weight: 455.51
Synonyms: None
SMILES: N#CC=1C=CC=2NC=C(C(=O)CCCN3CCN(C=4C=CC=5OC(=CC5C4)C(=O)N)CC3)C2C1
Tpsa: 119.36
Logp: 3.66978
H Acceptors: 6
H Donors: 2
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:
C₂₆H₂₅N₅O₃
Molecular Weight:
455.51
Synonyms:
None
SMILES:
N#CC=1C=CC=2NC=C(C(=O)CCCN3CCN(C=4C=CC=5OC(=CC5C4)C(=O)N)CC3)C2C1
Tpsa:
119.36
Logp:
3.66978
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
7