CS-0536331
2-(3-Formyl-4-isobutoxyphenyl)-N,N,4-trimethylthiazole-5-carboxamide
Manufacturer: ChemScene
CAS Number: 1380049-42-2
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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
C₁₈H₂₂N₂O₃S
Molecular Weight
346.44
Synonyms
Febuxostat-63
SMILES
O=C(C1=C(C)N=C(C2=CC=C(OCC(C)C)C(C=O)=C2)S1)N(C)C
Tpsa
59.5
Logp
3.66762
H Acceptors
5
H Donors
0
Rotatable Bonds
6
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: C₁₈H₂₂N₂O₃S
Molecular Weight: 346.44
Synonyms: Febuxostat-63
SMILES: O=C(C1=C(C)N=C(C2=CC=C(OCC(C)C)C(C=O)=C2)S1)N(C)C
Tpsa: 59.5
Logp: 3.66762
H Acceptors: 5
H Donors: 0
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:
C₁₈H₂₂N₂O₃S
Molecular Weight:
346.44
Synonyms:
Febuxostat-63
SMILES:
O=C(C1=C(C)N=C(C2=CC=C(OCC(C)C)C(C=O)=C2)S1)N(C)C
Tpsa:
59.5
Logp:
3.66762
H Acceptors:
5
H Donors:
0
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: C₁₈H₂₁N₃O₂S
Molecular Weight: 343.44
Synonyms: None
SMILES: O=C(C1=C(C)N=C(C2=CC=C(OCC(C)C)C(C#N)=C2)S1)N(C)C
Tpsa: 66.22
Logp: 3.7268
H Acceptors: 5
H Donors: 0
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:
C₁₈H₂₁N₃O₂S
Molecular Weight:
343.44
Synonyms:
None
SMILES:
O=C(C1=C(C)N=C(C2=CC=C(OCC(C)C)C(C#N)=C2)S1)N(C)C
Tpsa:
66.22
Logp:
3.7268
H Acceptors:
5
H Donors:
0
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: C₂₀H₄₁ClO₂Si₂
Molecular Weight: 405.16
Synonyms: Silane, [[(1R,3R)-5-(2-chloroethylidene)-1,3-cyclohexanediyl]bis(oxy)]bis[(1,1-dimethylethyl)dimethyl-
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1C[C@@H](CC(=CCCl)C1)O[Si](C)(C)C(C)(C)C
Tpsa: 18.46
Logp: 7.1163
H Acceptors: 2
H Donors: 0
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:
C₂₀H₄₁ClO₂Si₂
Molecular Weight:
405.16
Synonyms:
Silane, [[(1R,3R)-5-(2-chloroethylidene)-1,3-cyclohexanediyl]bis(oxy)]bis[(1,1-dimethylethyl)dimethyl-
SMILES:
CC(C)(C)[Si](C)(C)O[C@H]1C[C@@H](CC(=CCCl)C1)O[Si](C)(C)C(C)(C)C
Tpsa:
18.46
Logp:
7.1163
H Acceptors:
2
H Donors:
0
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: C₃₇H₄₃FN₂O₅
Molecular Weight: 614.75
Synonyms: Atorvastatin impurity 24/(3S,5S)-Atorvastatin tert-Butyl Ester/(3S,5S)-tert-butyl 7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate
SMILES: CC(C)C1=C(C(=C(N1CC[C@@H](C[C@@H](CC(=O)OC(C)(C)C)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4
Tpsa: 100.79
Logp: 7.5707
H Acceptors: 6
H Donors: 3
Rotatable Bonds: 12
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₇H₄₃FN₂O₅
Molecular Weight:
614.75
Synonyms:
Atorvastatin impurity 24/(3S,5S)-Atorvastatin tert-Butyl Ester/(3S,5S)-tert-butyl 7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate
SMILES:
CC(C)C1=C(C(=C(N1CC[C@@H](C[C@@H](CC(=O)OC(C)(C)C)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4
Tpsa:
100.79
Logp:
7.5707
H Acceptors:
6
H Donors:
3
Rotatable Bonds:
12