CAS RN: 83528-59-0
4-(IODOMETHYL)-CYCLOPENTENE
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.20250424 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS83528-59-0
- Purity/Analytical Methods: >99.0%
83528-59-0 / 4-(iodomethyl)cyclopentene
Basic Information
CAS
83528-59-0
Multi CAS
No
Molecular Formula
C6H9I
Molecular Weight
208.040000
Exact Mass
207.974900
InChI
InChI=1S/C6H9I/c7-5-6-3-1-2-4-6/h1-2,6H,3-5H2
InChIKey
JBUPUPVSIWQTFU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
0.67
Rotatable bonds
1
Molar refractivity
40.75
TPSA
0.0000
LogP / Solubility
WLOGP
2.39
MLOGP
2.1
XLogP3
2.9
Consensus LogP
2.46
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.11
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.29
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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![CAS 83536-16-7 3′,4′,5′,6′-tetrakis(4-carboxyphenyl)-[1,1′:2′,1”-Terphenyl]-4,4”-dicarboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/83536-16-7.gif)
