CAS RN: 14385-93-4
2-iodo-4′-methylbiphenyl
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250420 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: LINI887749
14385-93-4 / 1-iodo-2-(4-methylphenyl)benzene
Basic Information
CAS
14385-93-4
Multi CAS
No
Molecular Formula
C13H11I
Molecular Weight
294.130000
Exact Mass
293.990550
SMILES
CC1=CC=C(C=C1)C2=CC=CC=C2I
InChI
InChI=1S/C13H11I/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)14/h2-9H,1H3
InChIKey
QAJMEIMSXHIHPE-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
5.3
Consensus LogP
4.45
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
