CS-0131865
Febuxostat isopropyl isomer
Manufacturer: ChemScene
CAS Number: 144060-52-6
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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
C₁₅H₁₄N₂O₃S
Molecular Weight
302.35
Synonyms
None
SMILES
O=C(C1=C(C)N=C(C2=CC=C(OC(C)C)C(C#N)=C2)S1)O
Tpsa
83.21
Logp
3.4756
H Acceptors
5
H Donors
1
Rotatable Bonds
4
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 144060-52-6 | 2-(3-Cyano-4-isopropoxyphenyl)-4-methylthiazole-5-carboxylic acid | A2B Chem | ₹ 9,411.60 - ₹ 54,929.52 |
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-P330-P362+P364-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: C₁₅H₁₄N₂O₃S
Molecular Weight: 302.35
Synonyms: None
SMILES: O=C(C1=C(C)N=C(C2=CC=C(OC(C)C)C(C#N)=C2)S1)O
Tpsa: 83.21
Logp: 3.4756
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₄N₂O₃S
Molecular Weight:
302.35
Synonyms:
None
SMILES:
O=C(C1=C(C)N=C(C2=CC=C(OC(C)C)C(C#N)=C2)S1)O
Tpsa:
83.21
Logp:
3.4756
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉₀H₁₅₄N₃₀O₁₇.xC₂HF₃O₂
Molecular Weight: None
Synonyms: None
SMILES: OC(C(F)(F)F)=O.OC(C=C1)=CC=C1C[C@H](NC([C@H](CC(C)C)NC([C@H](CCCNC(N)=N)NC(CCCCCCCCCCCCC)=O)=O)=O)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCCN)C(N[C@@H](CCCNC(N)=N)C(N[C@@H]([C@@H](C)CC)C(N[C@H](C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CO)C(N[C@@H](C)C(NCC(N[C@H](C(O)=O)CCCNC(N)=N)=O)=O)=O)=O)=O)CC2=CNC3=CC=CC=C23)=O)=O)=O)=O)=O
Tpsa: 844.67
Logp: -1.43875
H Acceptors: 23
H Donors: 34
Rotatable Bonds: 71
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉₀H₁₅₄N₃₀O₁₇.xC₂HF₃O₂
Molecular Weight:
None
Synonyms:
None
SMILES:
OC(C(F)(F)F)=O.OC(C=C1)=CC=C1C[C@H](NC([C@H](CC(C)C)NC([C@H](CCCNC(N)=N)NC(CCCCCCCCCCCCC)=O)=O)=O)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCCN)C(N[C@@H](CCCNC(N)=N)C(N[C@@H]([C@@H](C)CC)C(N[C@H](C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CO)C(N[C@@H](C)C(NCC(N[C@H](C(O)=O)CCCNC(N)=N)=O)=O)=O)=O)=O)CC2=CNC3=CC=CC=C23)=O)=O)=O)=O)=O
Tpsa:
844.67
Logp:
-1.43875
H Acceptors:
23
H Donors:
34
Rotatable Bonds:
71
Purity: 98%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅₁H₇₉NO₁₃
Molecular Weight: 914.17
Synonyms: None
SMILES: O=C(C([C@](O[C@]1([H])C[C@@H](/C(C)=C/C=C/C=C/[C@H]2C)OC)([C@@H](CC1)C)O)=O)N(CCCC3)[C@]3([H])C(O[C@](CC([C@@H](/C=C([C@@H]([C@H](C([C@@H](C2)C)=O)OC)O)\C)C)=O)([H])[C@H](C)C[C@H](CC[C@H]4O)C[C@H]4OC)=O
Tpsa: 195.43
Logp: 6.1806
H Acceptors: 13
H Donors: 3
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅₁H₇₉NO₁₃
Molecular Weight:
914.17
Synonyms:
None
SMILES:
O=C(C([C@](O[C@]1([H])C[C@@H](/C(C)=C/C=C/C=C/[C@H]2C)OC)([C@@H](CC1)C)O)=O)N(CCCC3)[C@]3([H])C(O[C@](CC([C@@H](/C=C([C@@H]([C@H](C([C@@H](C2)C)=O)OC)O)\C)C)=O)([H])[C@H](C)C[C@H](CC[C@H]4O)C[C@H]4OC)=O
Tpsa:
195.43
Logp:
6.1806
H Acceptors:
13
H Donors:
3
Rotatable Bonds:
6
Purity: 97%
MDL No: MFCD06410632
Storage: -20°C, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₇NO₄
Molecular Weight: 215.25
Synonyms: N-Boc-2-morpholinecarbaldehyde
SMILES: O=C(N1CC(C=O)OCC1)OC(C)(C)C
Tpsa: 55.84
Logp: 0.8212
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 1
Purity:
97%
MDL No:
MFCD06410632
Storage:
-20°C, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₇NO₄
Molecular Weight:
215.25
Synonyms:
N-Boc-2-morpholinecarbaldehyde
SMILES:
O=C(N1CC(C=O)OCC1)OC(C)(C)C
Tpsa:
55.84
Logp:
0.8212
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
1