CS-1000465
Afoxolaner Impurity 18
Manufacturer: ChemScene
CAS Number: 1125726-30-8
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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
C₂₂H₁₃BrF₆O₄
Molecular Weight
535.23
Synonyms
None
SMILES
O=C(O)C1=CC=C(C(=O)CC(O)(C=2C=C(Br)C=C(C2)C(F)(F)F)C(F)(F)F)C=3C=CC=CC13
Tpsa
74.6
Logp
6.3422
H Acceptors
3
H Donors
2
Rotatable Bonds
5
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 1125726-30-8 | | A2B Chem | -- |
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: C₂₂H₁₃BrF₆O₄
Molecular Weight: 535.23
Synonyms: None
SMILES: O=C(O)C1=CC=C(C(=O)CC(O)(C=2C=C(Br)C=C(C2)C(F)(F)F)C(F)(F)F)C=3C=CC=CC13
Tpsa: 74.6
Logp: 6.3422
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₁₃BrF₆O₄
Molecular Weight:
535.23
Synonyms:
None
SMILES:
O=C(O)C1=CC=C(C(=O)CC(O)(C=2C=C(Br)C=C(C2)C(F)(F)F)C(F)(F)F)C=3C=CC=CC13
Tpsa:
74.6
Logp:
6.3422
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₆H₁₆ClF₉N₂O₃
Molecular Weight: 610.86
Synonyms: None
SMILES: O=C(C=C(C1=CC(Cl)=CC(=C1)C(F)(F)F)C(F)(F)F)C2=CC=C(C(=O)NCC(=O)NCC(F)(F)F)C=3C=CC=CC23
Tpsa: 75.27
Logp: 6.7489
H Acceptors: 3
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:
C₂₆H₁₆ClF₉N₂O₃
Molecular Weight:
610.86
Synonyms:
None
SMILES:
O=C(C=C(C1=CC(Cl)=CC(=C1)C(F)(F)F)C(F)(F)F)C2=CC=C(C(=O)NCC(=O)NCC(F)(F)F)C=3C=CC=CC23
Tpsa:
75.27
Logp:
6.7489
H Acceptors:
3
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: C₂₂H₂₉NO₂
Molecular Weight: 339.47
Synonyms: None
SMILES: C([C@H](O)C1=CC=CC=C1)[C@H]2N(C)[C@@H](C[C@H](O)C3=CC=CC=C3)CCC2
Tpsa: 43.7
Logp: 4.0867
H Acceptors: 3
H Donors: 2
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:
C₂₂H₂₉NO₂
Molecular Weight:
339.47
Synonyms:
None
SMILES:
C([C@H](O)C1=CC=CC=C1)[C@H]2N(C)[C@@H](C[C@H](O)C3=CC=CC=C3)CCC2
Tpsa:
43.7
Logp:
4.0867
H Acceptors:
3
H Donors:
2
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: C₃₈H₆₉N₃O₁₃S
Molecular Weight: 808.03
Synonyms: None
SMILES: C(#N)S.O([C@H]1[C@H](C)[C@@H](O[C@H]2[C@H](O)[C@@H](N(C)C)C[C@@H](C)O2)[C@](C)(O)C[C@@H](C)C(=NO)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]1C)[C@H]3C[C@](OC)(C)[C@@H](O)[C@H](C)O3
Tpsa: 233.22
Logp: 2.44398
H Acceptors: 17
H Donors: 7
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:
C₃₈H₆₉N₃O₁₃S
Molecular Weight:
808.03
Synonyms:
None
SMILES:
C(#N)S.O([C@H]1[C@H](C)[C@@H](O[C@H]2[C@H](O)[C@@H](N(C)C)C[C@@H](C)O2)[C@](C)(O)C[C@@H](C)C(=NO)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]1C)[C@H]3C[C@](OC)(C)[C@@H](O)[C@H](C)O3
Tpsa:
233.22
Logp:
2.44398
H Acceptors:
17
H Donors:
7
Rotatable Bonds:
7