CAS RN: 4132-48-3
4-Isopropylanisole
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
- Product code: ICTI0588
- Purity/Analytical Methods: >98.0%(GC)
4132-48-3 / 1-methoxy-4-propan-2-ylbenzene
Basic Information
CAS
4132-48-3
Multi CAS
Yes
Molecular Formula
C10H14O
Molecular Weight
150.220000
Exact Mass
150.104465
InChI
InChI=1S/C10H14O/c1-8(2)9-4-6-10(11-3)7-5-9/h4-8H,1-3H3
InChIKey
JULZQKLZSNOEEJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
47.08
TPSA
9.23
LogP / Solubility
WLOGP
2.82
MLOGP
2.47
XLogP3
3.4
Consensus LogP
2.9
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.22
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)
-1.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
