CAS RN: 88174-23-6
2,6-dibromo-4-methylbenzaldehyde
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.20250118 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS88174-23-6
- Purity/Analytical Methods: >99.0%
88174-23-6 / 2,6-dibromo-4-methylbenzaldehyde
Basic Information
CAS
88174-23-6
Multi CAS
No
Molecular Formula
C8H6BR2O
Molecular Weight
277.940000
Exact Mass
277.876490
InChI
InChI=1S/C8H6Br2O/c1-5-2-7(9)6(4-11)8(10)3-5/h2-4H,1H3
InChIKey
DQKYOHFYBQVJTH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
51.97
TPSA
17.07
LogP / Solubility
WLOGP
3.33
MLOGP
2.94
XLogP3
3.1
Consensus LogP
3.12
Log S (ESOL)
-4
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.35
Class (SILICOS-IT)
Slightly 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)
-2.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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