CAS RN: 32454-16-3
2-(4-broMophenyl)-2-Methylpropanal
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.20251015 | 100mg / 250mg / 500mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS32454-16-3
- Purity/Analytical Methods: >99.0%
32454-16-3 / 2-(4-bromophenyl)-2-methylpropanal
Basic Information
CAS
32454-16-3
Multi CAS
No
Molecular Formula
C10H11BRO
Molecular Weight
227.100000
Exact Mass
225.999330
InChI
InChI=1S/C10H11BrO/c1-10(2,7-12)8-3-5-9(11)6-4-8/h3-7H,1-2H3
InChIKey
WDCNOQSTJRGLOG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
53.23
TPSA
17.07
LogP / Solubility
WLOGP
2.93
MLOGP
2.58
XLogP3
2.9
Consensus LogP
2.8
Log S (ESOL)
-3.33
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.53
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.8
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.03
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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