CAS RN: 955931-76-7
4-(4-Bromophenethoxy)benzaldehyde
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.20251217 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS955931-76-7
- Purity/Analytical Methods: >99.0%
955931-76-7 / 4-[2-(4-bromophenyl)ethoxy]benzaldehyde
Basic Information
CAS
955931-76-7
Multi CAS
No
Molecular Formula
C15H13BRO2
Molecular Weight
305.170000
Exact Mass
304.009890
InChI
InChI=1S/C15H13BrO2/c16-14-5-1-12(2-6-14)9-10-18-15-7-3-13(11-17)4-8-15/h1-8,11H,9-10H2
InChIKey
RZFUWNCIHGSEFG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
75.17
TPSA
26.3
LogP / Solubility
WLOGP
3.88
MLOGP
3.43
XLogP3
4
Consensus LogP
3.77
Log S (ESOL)
-4.34
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.87
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.47
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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