CAS RN: 42918-20-7
o-Allylbromobenzene
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-151214
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 | Shanghai | Inquiry |
42918-20-7 / 1-bromo-2-prop-2-enylbenzene
Basic Information
CAS
42918-20-7
Multi CAS
No
Molecular Formula
C9H9BR
Molecular Weight
197.070000
Exact Mass
195.988760
InChI
InChI=1S/C9H9Br/c1-2-5-8-6-3-4-7-9(8)10/h2-4,6-7H,1,5H2
InChIKey
NTYPQDZCDDLKLV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
2
Molar refractivity
48.04
TPSA
0.0000
LogP / Solubility
WLOGP
3.18
MLOGP
2.8
XLogP3
3.7
Consensus LogP
3.23
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.82
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)
-1.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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- CAS RN: 42919-64-2
- Product Code: starshine_CAS42919-64-2
- Purity/Analytical method: >99.0%
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