CAS RN: 68682-48-4
Benzeneacetic acid, α,α,4-trimethyl-, methyl ester
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.20250908 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS68682-48-4
- Purity/Analytical Methods: >99.0%
68682-48-4 / methyl 2-methyl-2-(4-methylphenyl)propanoate
Basic Information
CAS
68682-48-4
Multi CAS
No
Molecular Formula
C12H16O2
Molecular Weight
192.250000
Exact Mass
192.115030
InChI
InChI=1S/C12H16O2/c1-9-5-7-10(8-6-9)12(2,3)11(13)14-4/h5-8H,1-4H3
InChIKey
AEQBQMUJJMQZFW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
56.22
TPSA
26.3
LogP / Solubility
WLOGP
2.45
MLOGP
2.15
XLogP3
3
Consensus LogP
2.53
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.18
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 68684-40-2 Adenosine, 5′-[[(3S)-3-amino-3-carboxypropyl]methyl-d3-sulfonio]-5′-deoxy-, inner salt molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/68684-40-2.gif)
