![CAS 67496-29-1 (6-Bromobenzo[d][1,3]dioxol-5-yl)methanamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/67496-29-1.gif)
CAS RN: 67496-29-1
(6-Bromobenzo[d][1,3]dioxol-5-yl)methanamine
Product Availability
Choose a grade to view its available package options.
5 package records2 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260609 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250118 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20260323 | 1g | Out of stock | Inquiry | ||
| Batchno.20250226 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20251217 | 5g | Out of stock | Inquiry |
- Product code: starshine_CAS67496-29-1
- Purity/Analytical Methods: >99.0%
67496-29-1 / (6-bromo-1,3-benzodioxol-5-yl)methanamine
Basic Information
CAS
67496-29-1
Multi CAS
Yes
Molecular Formula
BC8H8O2Rn
Molecular Weight
230.060000
Exact Mass
228.973840
InChI
InChI=1S/C8H8BrNO2/c9-6-2-8-7(11-4-12-8)1-5(6)3-10/h1-2H,3-4,10H2
InChIKey
NNUIXLSPFGFNDE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.16
TPSA
44.48
LogP / Solubility
WLOGP
1.64
MLOGP
1.44
XLogP3
1.3
Consensus LogP
1.46
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.63
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.63
Class (SILICOS-IT)
Moderately 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)
-2.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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