CS-0536328
(2S,3R,4R,5S,6R)-2-(4-chloro-3-(((4-ethoxybenzyl)oxy)methyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
Manufacturer: ChemScene
CAS Number: 1318794-28-3
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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
C₂₂H₂₇ClO₇
Molecular Weight
438.90
Synonyms
None
SMILES
O[C@H]1[C@H](C2=CC=C(Cl)C(COCC3=CC=C(OCC)C=C3)=C2)O[C@H](CO)[C@@H](O)[C@@H]1O
Tpsa
108.61
Logp
1.9704
H Acceptors
7
H Donors
4
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: C₂₂H₂₇ClO₇
Molecular Weight: 438.90
Synonyms: None
SMILES: O[C@H]1[C@H](C2=CC=C(Cl)C(COCC3=CC=C(OCC)C=C3)=C2)O[C@H](CO)[C@@H](O)[C@@H]1O
Tpsa: 108.61
Logp: 1.9704
H Acceptors: 7
H Donors: 4
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:
C₂₂H₂₇ClO₇
Molecular Weight:
438.90
Synonyms:
None
SMILES:
O[C@H]1[C@H](C2=CC=C(Cl)C(COCC3=CC=C(OCC)C=C3)=C2)O[C@H](CO)[C@@H](O)[C@@H]1O
Tpsa:
108.61
Logp:
1.9704
H Acceptors:
7
H Donors:
4
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: C₁₇H₂₀N₂O₂
Molecular Weight: 284.35
Synonyms: (S)-N2-[4-(benzyloxy)benzyl]alaninamide
SMILES: C[C@@H](C(=O)N)NCC1=CC=C(C=C1)OCC2=CC=CC=C2
Tpsa: 64.35
Logp: 2.229
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:
C₁₇H₂₀N₂O₂
Molecular Weight:
284.35
Synonyms:
(S)-N2-[4-(benzyloxy)benzyl]alaninamide
SMILES:
C[C@@H](C(=O)N)NCC1=CC=C(C=C1)OCC2=CC=CC=C2
Tpsa:
64.35
Logp:
2.229
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: C₁₈H₂₂N₂O₄S
Molecular Weight: 362.44
Synonyms: ethyl 2-(3-carbamoyl-4-isobutoxyphenyl)-4-methylthiazole-5- carboxylate
SMILES: O=C(C1=C(C)N=C(C2=CC=C(OCC(C)C)C(C(N)=O)=C2)S1)OCC
Tpsa: 91.51
Logp: 3.42892
H Acceptors: 6
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:
C₁₈H₂₂N₂O₄S
Molecular Weight:
362.44
Synonyms:
ethyl 2-(3-carbamoyl-4-isobutoxyphenyl)-4-methylthiazole-5- carboxylate
SMILES:
O=C(C1=C(C)N=C(C2=CC=C(OCC(C)C)C(C(N)=O)=C2)S1)OCC
Tpsa:
91.51
Logp:
3.42892
H Acceptors:
6
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: 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