CAS RN: 94670-76-5
1,3-Benzodioxole, 5-broMo-6-iodo-
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260409 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS94670-76-5
- Purity/Analytical Methods: >99.0%
94670-76-5 / 5-bromo-6-iodo-1,3-benzodioxole
Basic Information
CAS
94670-76-5
Multi CAS
No
Molecular Formula
C7H4BRIO2
Molecular Weight
326.910000
Exact Mass
325.843940
InChI
InChI=1S/C7H4BrIO2/c8-4-1-6-7(2-5(4)9)11-3-10-6/h1-2H,3H2
InChIKey
IKAMVDCUIDIBOG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
2
Molar refractivity
52.98
TPSA
18.46
LogP / Solubility
WLOGP
2.78
MLOGP
2.46
XLogP3
3.1
Consensus LogP
2.78
Log S (ESOL)
-4.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.09
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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