CAS RN: 916747-51-8
1-BroMo-4-tert-butyl-2-iodo-benzene
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock2 grade groups
- Product code: SSC-205040
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 |
916747-51-8 / 1-bromo-4-tert-butyl-2-iodobenzene
Basic Information
CAS
916747-51-8
Multi CAS
No
Molecular Formula
C10H12BRI
Molecular Weight
339.010000
Exact Mass
337.916710
InChI
InChI=1S/C10H12BrI/c1-10(2,3)7-4-5-8(11)9(12)6-7/h4-6H,1-3H3
InChIKey
WUALLSLVZKGQFW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
Molar refractivity
65.56
TPSA
0.0000
LogP / Solubility
WLOGP
4.35
MLOGP
3.85
XLogP3
4.9
Consensus LogP
4.37
Log S (ESOL)
-5.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.48
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.7
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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