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CAS 17078-76-1 4-ETHYL-4′-IODOBIPHENYL molecular structure lightbox
CAS RN: 17078-76-1

4-ETHYL-4′-IODOBIPHENYL

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250927 100mg In stock Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20260213 100mg / 250mg / 500mg / 1g Confirm by inquiry Shanghai Inquiry
Batchno.20250211 1g In stock Shenzhen, Tianjin Inquiry
Batchno.20250604 250mg In stock Shenzhen Inquiry
  • Product code: starshine_CAS17078-76-1
  • Purity/Analytical Methods: >99.0%
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17078-76-1 / 1-ethyl-4-(4-iodophenyl)benzene

Standard CAS: 17078-76-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17078-76-1
Multi CAS
No
Molecular Formula
C14H13I
Molecular Weight
308.160000
Exact Mass
308.006200
SMILES
CCC1=CC=C(C=C1)C2=CC=C(C=C2)I
InChI
InChI=1S/C14H13I/c1-2-11-3-5-12(6-4-11)13-7-9-14(15)10-8-13/h3-10H,2H2,1H3
InChIKey
DUQFCMVIJVWQMX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
2
Molar refractivity
73.97
TPSA
0.0000

LogP / Solubility

WLOGP
4.52
MLOGP
3.99
XLogP3
5
Consensus LogP
4.5
Log S (ESOL)
-5.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.66
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)
-1.39

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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