CAS RN: 1350352-70-3
Febuxostat Impurity 7
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250914 | 10mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1350352-70-3
- Purity/Analytical Methods: >99.0%
1350352-70-3 / 2-[3-[(E)-hydroxyiminomethyl]-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
Basic Information
CAS
1350352-70-3
Multi CAS
No
Molecular Formula
C16H18N2O4S
Molecular Weight
334.400000
Exact Mass
334.098728
SMILES
CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)C)/C=N/O)C(=O)O
InChI
InChI=1S/C16H18N2O4S/c1-9(2)8-22-13-5-4-11(6-12(13)7-17-21)15-18-10(3)14(23-15)16(19)20/h4-7,9,21H,8H2,1-3H3,(H,19,20)/b17-7+
InChIKey
MDMGIABSBHFMNF-REZTVBANSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
11
Fraction Csp3
0.31
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
2
Molar refractivity
88.96
TPSA
92.01
LogP / Solubility
WLOGP
3.66
MLOGP
3.24
XLogP3
3.9
Consensus LogP
3.6
Log S (ESOL)
-4.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.59
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-2.16
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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