CAS RN: 20430-18-6
2-Methyl-2-(p-tolyl)propanoic Acid
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.20251021 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS20430-18-6
- Purity/Analytical Methods: >99.0%
20430-18-6 / 2-methyl-2-(4-methylphenyl)propanoic acid
Basic Information
CAS
20430-18-6
Multi CAS
No
Molecular Formula
C11H14O2
Molecular Weight
178.230000
Exact Mass
178.099380
SMILES
CC1=CC=C(C=C1)C(C)(C)C(=O)O
InChI
InChI=1S/C11H14O2/c1-8-4-6-9(7-5-8)11(2,3)10(12)13/h4-7H,1-3H3,(H,12,13)
InChIKey
SHDBWXXRCCHGQD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
51.84
TPSA
37.3
LogP / Solubility
WLOGP
2.36
MLOGP
2.07
XLogP3
2.7
Consensus LogP
2.38
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.01
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)
-2.13
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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