CAS RN: 6062-26-6
sodium 4-(4-chloro-o-tolyloxy)butyrate
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.20250509 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS6062-26-6
- Purity/Analytical Methods: >99.0%
6062-26-6 / sodium 4-(4-chloro-2-methylphenoxy)butanoate
Basic Information
CAS
6062-26-6
Multi CAS
Yes
Molecular Formula
C11H12CLNAO3
Molecular Weight
250.650000
Exact Mass
250.037266
InChI
InChI=1S/C11H13ClO3.Na/c1-8-7-9(12)4-5-10(8)15-6-2-3-11(13)14;/h4-5,7H,2-3,6H2,1H3,(H,13,14);/q;+1/p-1
InChIKey
GABUSZPTCJGKGB-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
55.93
TPSA
49.36
LogP / Solubility
WLOGP
-1.44
MLOGP
-1.26
XLogP3
-1.44
Consensus LogP
-1.38
Log S (ESOL)
-0.44
Class (ESOL)
Very soluble
Log S (Ali)
-0.58
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.7
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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