CAS RN: 877-88-3
3,5-Dimethoxybenzyl Bromide
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250327 | 100g | In stock | Shanghai, Shandong, Guangdong | Inquiry |
| Batchno.20250816 | 1g | In stock | Shanghai, Shandong, Chongqing | Inquiry |
| Batchno.20260304 | 25g | In stock | Shanghai, Shandong, Guangdong, Chongqing | Inquiry |
| Batchno.20260603 | 500g | In stock | Shandong | Inquiry |
| Batchno.20250126 | 5g | In stock | Shanghai, Shandong | Inquiry |
- Product code: ICTD2657
- Purity/Analytical Methods: >97.0%(GC)
877-88-3 / 1-(bromomethyl)-3,5-dimethoxybenzene
Basic Information
CAS
877-88-3
Multi CAS
Yes
Molecular Formula
C9H11BRO2
Molecular Weight
231.090000
Exact Mass
229.994240
InChI
InChI=1S/C9H11BrO2/c1-11-8-3-7(6-10)4-9(5-8)12-2/h3-5H,6H2,1-2H3
InChIKey
BTHIGJGJAPYFSJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
52.18
TPSA
18.46
LogP / Solubility
WLOGP
2.6
MLOGP
2.29
XLogP3
2.4
Consensus LogP
2.43
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.68
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)
-2.28
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
