CAS RN: 144060-62-8
Febuxostat Impurity 8
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251110 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: LINF915958
144060-62-8 / 2-[3-formyl-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
Basic Information
CAS
144060-62-8
Multi CAS
No
Molecular Formula
C16H17NO4S
Molecular Weight
319.400000
Exact Mass
319.087829
SMILES
CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)C)C=O)C(=O)O
InChI
InChI=1S/C16H17NO4S/c1-9(2)8-21-13-5-4-11(6-12(13)7-18)15-17-10(3)14(22-15)16(19)20/h4-7,9H,8H2,1-3H3,(H,19,20)
InChIKey
OHIQHHXCAMMCPH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
11
Fraction Csp3
0.31
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
1
Molar refractivity
84.97
TPSA
76.49
LogP / Solubility
WLOGP
3.66
MLOGP
3.24
XLogP3
3.6
Consensus LogP
3.5
Log S (ESOL)
-4.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.5
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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