CAS RN: 6158-45-8
1-Isopropylnaphthalene
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.20250606 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: ICTI0578
- Purity/Analytical Methods: >85.0%(GC)
6158-45-8 / 1-propan-2-ylnaphthalene
Basic Information
CAS
6158-45-8
Multi CAS
No
Molecular Formula
C13H14
Molecular Weight
170.250000
Exact Mass
170.109550
InChI
InChI=1S/C13H14/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12/h3-10H,1-2H3
InChIKey
PMPBFICDXLLSRM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.23
Rotatable bonds
1
Molar refractivity
58.04
TPSA
0.0000
LogP / Solubility
WLOGP
3.96
MLOGP
3.48
XLogP3
4.6
Consensus LogP
4.01
Log S (ESOL)
-3.9
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.18
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
