CAS RN: 22494-47-9
clobuzarit
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.20251214 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS22494-47-9
- Purity/Analytical Methods: >99.0%
22494-47-9 / 2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-methylpropanoic acid
Basic Information
CAS
22494-47-9
Multi CAS
No
Molecular Formula
C17H17ClO3
Molecular Weight
304.800000
Exact Mass
304.086622
SMILES
CC(C)(C(=O)O)OCC1=CC=C(C=C1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C17H17ClO3/c1-17(2,16(19)20)21-11-12-3-5-13(6-4-12)14-7-9-15(18)10-8-14/h3-10H,11H2,1-2H3,(H,19,20)
InChIKey
UGOFYAXVVVXMQT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
83.39
TPSA
46.53
LogP / Solubility
WLOGP
4.39
MLOGP
3.87
XLogP3
4
Consensus LogP
4.09
Log S (ESOL)
-4.59
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.88
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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