CAS RN: 676267-02-0
1-Bromo-3-iodo-naphthalene
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250614 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS676267-02-0
- Purity/Analytical Methods: >99.0%
676267-02-0 / 1-bromo-3-iodonaphthalene
Basic Information
CAS
676267-02-0
Multi CAS
No
Molecular Formula
C10H6BRI
Molecular Weight
332.960000
Exact Mass
331.869760
InChI
InChI=1S/C10H6BrI/c11-10-6-8(12)5-7-3-1-2-4-9(7)10/h1-6H
InChIKey
OBIWCDQIVBSZHF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
Molar refractivity
64.37
TPSA
0.0000
LogP / Solubility
WLOGP
4.21
MLOGP
3.72
XLogP3
4.5
Consensus LogP
4.14
Log S (ESOL)
-5.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.33
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.32
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.76
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
