![CAS 2170372-27-5 2-Oxabicyclo[2.1.1]hexane-1,4-dimethanol, 1-acetate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2170372-27-5.png)
CAS RN: 2170372-27-5
2-Oxabicyclo[2.1.1]hexane-1,4-dimethanol, 1-acetate
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.20250703 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: SSC-104491
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 |
2170372-27-5 / [4-(hydroxymethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methyl acetate
Basic Information
CAS
2170372-27-5
Multi CAS
No
Molecular Formula
C9H14O4
Molecular Weight
186.200000
Exact Mass
186.089209
SMILES
CC(=O)OCC12CC(C1)(CO2)CO
InChI
InChI=1S/C9H14O4/c1-7(11)12-6-9-2-8(3-9,4-10)5-13-9/h10H,2-6H2,1H3
InChIKey
ANCBRBVKIIWMHZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.89
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
44.07
TPSA
55.76
LogP / Solubility
WLOGP
0.09
MLOGP
0.08
XLogP3
-0.5
Consensus LogP
-0.11
Log S (ESOL)
-0.85
Class (ESOL)
Very soluble
Log S (Ali)
-1.15
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.31
Class (SILICOS-IT)
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)
-3.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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