CAS RN: 1271738-74-9
Febuxostat Impurity 6
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251029 | 5mg / 25mg / 100mg / 250mg | Confirm by inquiry | Shanghai, Shandong, Hebei | 5-7 business days | Inquiry |
- Product code: starshine_CAS1271738-74-9
- Purity/Analytical Methods: >99.0%
1271738-74-9 / ethyl 2-[3-[(E)-hydroxyiminomethyl]-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylate
Basic Information
CAS
1271738-74-9
Multi CAS
No
Molecular Formula
C18H22N2O4S
Molecular Weight
362.400000
Exact Mass
362.130028
SMILES
CCOC(=O)C1=C(N=C(S1)C2=CC(=C(C=C2)OCC(C)C)/C=N/O)C
InChI
InChI=1S/C18H22N2O4S/c1-5-23-18(21)16-12(4)20-17(25-16)13-6-7-15(24-10-11(2)3)14(8-13)9-19-22/h6-9,11,22H,5,10H2,1-4H3/b19-9+
InChIKey
XISYIGZAZNITQC-DJKKODMXSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
11
Fraction Csp3
0.39
Rotatable bonds
7
H-bond acceptors
7
H-bond donors
1
Molar refractivity
97.96
TPSA
81.01
LogP / Solubility
WLOGP
4.14
MLOGP
3.66
XLogP3
4.6
Consensus LogP
4.13
Log S (ESOL)
-4.56
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.52
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.29
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.99
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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