![CAS 2092825-26-6 methyl 3-hydroxybicyclo[1.1.1]pentane-1-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2092825-26-6.png)
CAS RN: 2092825-26-6
methyl 3-hydroxybicyclo[1.1.1]pentane-1-carboxylate
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.20251104 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-099082
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.25g, 5g, 0.1g, 1g, 10g, 25g
- Available purity: ＞96%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ＞96% | 3 In Stock | Hong Kong | Inquiry |
| 5g | ＞96% | 3 In Stock | Hong Kong | Inquiry |
| 0.1g | ＞96% | 1 In Stock | Shanghai | Inquiry |
| 1g | ＞96% | 0 Out of Stock | Shenzhen | Inquiry |
| 10g | ＞96% | 0 Out of Stock | Shanghai | Inquiry |
| 25g | ＞96% | 0 Out of Stock | Shanghai | Inquiry |
2092825-26-6 / methyl 3-hydroxybicyclo[1.1.1]pentane-1-carboxylate
Basic Information
CAS
2092825-26-6
Multi CAS
No
Molecular Formula
C7H10O3
Molecular Weight
142.150000
Exact Mass
142.062994
SMILES
COC(=O)C12CC(C1)(C2)O
InChI
InChI=1S/C7H10O3/c1-10-5(8)6-2-7(9,3-6)4-6/h9H,2-4H2,1H3
InChIKey
RAUBVFRZOUPDOQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
33.25
TPSA
46.53
LogP / Solubility
WLOGP
0.07
MLOGP
0.06
XLogP3
-0.3
Consensus LogP
-0.06
Log S (ESOL)
-0.7
Class (ESOL)
Very soluble
Log S (Ali)
-0.78
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.77
Class (SILICOS-IT)
Very 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)
-3.53
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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