![CAS 2230803-78-6 1-(iodomethyl)-2-oxabicyclo[2.1.1]hexane-4-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2230803-78-6.gif)
CAS RN: 2230803-78-6
1-(iodomethyl)-2-oxabicyclo[2.1.1]hexane-4-carbonitrile
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.20250527 | 50mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-108674
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
2230803-78-6 / 1-(iodomethyl)-2-oxabicyclo[2.1.1]hexane-4-carbonitrile
Basic Information
CAS
2230803-78-6
Multi CAS
No
Molecular Formula
C7H8INO
Molecular Weight
249.050000
Exact Mass
248.965060
SMILES
C1C2(CC1(OC2)CI)C#N
InChI
InChI=1S/C7H8INO/c8-3-7-1-6(2-7,4-9)5-10-7/h1-3,5H2
InChIKey
NLOLKUSPFQNSJF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
44.85
TPSA
33.02
LogP / Solubility
WLOGP
1.49
MLOGP
1.32
XLogP3
0.9
Consensus LogP
1.24
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
Class (SILICOS-IT)
Moderately 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)
-3.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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