CS-0536267
Diethyl 2,2'-(4-isobutoxy-1,3-phenylene)bis(4-methylthiazole-5-carboxylate)
Manufacturer: ChemScene
CAS Number: 1346238-13-8
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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
C₂₄H₂₈N₂O₅S₂
Molecular Weight
488.62
Synonyms
Febuxostat-51
SMILES
CCOC(=O)C1=C(N=C(S1)C2=CC(=C(C=C2)OCC(C)C)C3=NC(=C(S3)C(=O)OCC)C)C
Tpsa
87.61
Logp
5.93864
H Acceptors
9
H Donors
0
Rotatable Bonds
9
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: C₂₄H₂₈N₂O₅S₂
Molecular Weight: 488.62
Synonyms: Febuxostat-51
SMILES: CCOC(=O)C1=C(N=C(S1)C2=CC(=C(C=C2)OCC(C)C)C3=NC(=C(S3)C(=O)OCC)C)C
Tpsa: 87.61
Logp: 5.93864
H Acceptors: 9
H Donors: 0
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:
C₂₄H₂₈N₂O₅S₂
Molecular Weight:
488.62
Synonyms:
Febuxostat-51
SMILES:
CCOC(=O)C1=C(N=C(S1)C2=CC(=C(C=C2)OCC(C)C)C3=NC(=C(S3)C(=O)OCC)C)C
Tpsa:
87.61
Logp:
5.93864
H Acceptors:
9
H Donors:
0
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: C₂₁H₂₁FN₈O₂
Molecular Weight: 436.44
Synonyms: Carbamic acid, N-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-pyrimidinyl]-N-ethyl-, methyl ester
SMILES: CCN(C1=C(N=C(N=C1N)C2=NN(C3=C2C=CC=N3)CC4=CC=CC=C4F)N)C(=O)OC
Tpsa: 138.07
Logp: 2.8328
H Acceptors: 9
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:
C₂₁H₂₁FN₈O₂
Molecular Weight:
436.44
Synonyms:
Carbamic acid, N-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-pyrimidinyl]-N-ethyl-, methyl ester
SMILES:
CCN(C1=C(N=C(N=C1N)C2=NN(C3=C2C=CC=N3)CC4=CC=CC=C4F)N)C(=O)OC
Tpsa:
138.07
Logp:
2.8328
H Acceptors:
9
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: C₃₀H₅₆O₃Si
Molecular Weight: 492.85
Synonyms: tert-butyl(((1R,3aR,7aR)-1-((2R,5S,E)-5,6-dimethyl-6-((tetrahydro-2H-pyran-2-yl)oxy)hept-3-en-2-yl)-7a-methyloctahydro-1H-inden-4-yl)oxy)dimethylsilane
SMILES: C[C@H](/C=C/[C@H](C)C(C)(C)OC1CCCCO1)[C@H]2CC[C@@H]3[C@@]2(CCC[C@@H]3O[Si](C)(C)C(C)(C)C)C
Tpsa: 27.69
Logp: 8.7434
H Acceptors: 3
H Donors: 0
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:
C₃₀H₅₆O₃Si
Molecular Weight:
492.85
Synonyms:
tert-butyl(((1R,3aR,7aR)-1-((2R,5S,E)-5,6-dimethyl-6-((tetrahydro-2H-pyran-2-yl)oxy)hept-3-en-2-yl)-7a-methyloctahydro-1H-inden-4-yl)oxy)dimethylsilane
SMILES:
C[C@H](/C=C/[C@H](C)C(C)(C)OC1CCCCO1)[C@H]2CC[C@@H]3[C@@]2(CCC[C@@H]3O[Si](C)(C)C(C)(C)C)C
Tpsa:
27.69
Logp:
8.7434
H Acceptors:
3
H Donors:
0
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: C₃₀H₃₂F₂N₈O₄
Molecular Weight: 606.62
Synonyms: Flupirtine DiMer
SMILES: CCOC(=O)NC1=C(N=C(C(=C1)C2=CC(=C(N=C2NCC3=CC=C(C=C3)F)N)NC(=O)OCC)NCC4=CC=C(C=C4)F)N
Tpsa: 178.54
Logp: 5.9472
H Acceptors: 10
H Donors: 6
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:
C₃₀H₃₂F₂N₈O₄
Molecular Weight:
606.62
Synonyms:
Flupirtine DiMer
SMILES:
CCOC(=O)NC1=C(N=C(C(=C1)C2=CC(=C(N=C2NCC3=CC=C(C=C3)F)N)NC(=O)OCC)NCC4=CC=C(C=C4)F)N
Tpsa:
178.54
Logp:
5.9472
H Acceptors:
10
H Donors:
6
Rotatable Bonds:
11