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CAS RN: 368839-12-7
7-bromo-2,3-dihydro-1,4-benzodioxin-6-amine
- Product code: SSC-144142
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
368839-12-7 / 6-bromo-2,3-dihydro-1,4-benzodioxin-7-amine
Basic Information
CAS
368839-12-7
Multi CAS
No
Molecular Formula
BC8H8O2Rn
Molecular Weight
230.060000
Exact Mass
228.973840
InChI
InChI=1S/C8H8BrNO2/c9-5-3-7-8(4-6(5)10)12-2-1-11-7/h3-4H,1-2,10H2
InChIKey
RSBPTTBZKJYYLM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.54
TPSA
44.48
LogP / Solubility
WLOGP
1.8
MLOGP
1.59
XLogP3
1.6
Consensus LogP
1.66
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
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)
-2.84
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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