CAS RN: 55290-86-3
4-IODO-4′-METHYLBIPHENYL
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.20250220 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS55290-86-3
- Purity/Analytical Methods: >99.0%
55290-86-3 / 1-iodo-4-(4-methylphenyl)benzene
Basic Information
CAS
55290-86-3
Multi CAS
No
Molecular Formula
C13H11I
Molecular Weight
294.130000
Exact Mass
293.990550
InChI
InChI=1S/C13H11I/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12/h2-9H,1H3
InChIKey
XFPXXEIIWWYHTD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
1
Molar refractivity
69.33
TPSA
0.0000
LogP / Solubility
WLOGP
4.27
MLOGP
3.77
XLogP3
5.4
Consensus LogP
4.48
Log S (ESOL)
-4.92
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.23
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.48
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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