CAS RN: 36393-42-7
4′-Methylbiphenyl-4-carbaldehyde
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260516 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS36393-42-7
- Purity/Analytical Methods: >99.0%
36393-42-7 / 4-(4-methylphenyl)benzaldehyde
Basic Information
CAS
36393-42-7
Multi CAS
No
Molecular Formula
C14H12O
Molecular Weight
196.240000
Exact Mass
196.088815
InChI
InChI=1S/C14H12O/c1-11-2-6-13(7-3-11)14-8-4-12(10-15)5-9-14/h2-10H,1H3
InChIKey
BCINBWXQYBLSKO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
62
TPSA
17.07
LogP / Solubility
WLOGP
3.47
MLOGP
3.06
XLogP3
3.4
Consensus LogP
3.31
Log S (ESOL)
-3.71
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.68
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.06
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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