CAS RN: 343604-05-7
3′,4′-DIMETHYL-BIPHENYL-4-CARBALDEHYDE
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.20260122 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS343604-05-7
- Purity/Analytical Methods: >99.0%
343604-05-7 / 4-(3,4-dimethylphenyl)benzaldehyde
Basic Information
CAS
343604-05-7
Multi CAS
No
Molecular Formula
C15H14O
Molecular Weight
210.270000
Exact Mass
210.104465
InChI
InChI=1S/C15H14O/c1-11-3-6-15(9-12(11)2)14-7-4-13(10-16)5-8-14/h3-10H,1-2H3
InChIKey
FWBMHVOMCSIWCX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
66.74
TPSA
17.07
LogP / Solubility
WLOGP
3.78
MLOGP
3.33
XLogP3
3.7
Consensus LogP
3.6
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.41
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
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)
-1.32
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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