CAS RN: 61434-46-6
3,4′-DI-ISO-PROPYLBIPHENYL
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260128 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS61434-46-6
- Purity/Analytical Methods: >99.0%
61434-46-6 / 1-propan-2-yl-3-(4-propan-2-ylphenyl)benzene
Basic Information
CAS
61434-46-6
Multi CAS
Yes
Molecular Formula
C18H22
Molecular Weight
238.400000
Exact Mass
238.172151
InChI
InChI=1S/C18H22/c1-13(2)15-8-10-16(11-9-15)18-7-5-6-17(12-18)14(3)4/h5-14H,1-4H3
InChIKey
LHNUPUGVRFQTLK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
3
Molar refractivity
80.06
TPSA
0.0000
LogP / Solubility
WLOGP
5.6
MLOGP
4.93
XLogP3
5.8
Consensus LogP
5.44
Log S (ESOL)
-5.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.56
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.22
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.2
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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