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: 0.1g, 0.25g, 5g, 10g, 1g, 1000g
- Available purity: ≥95%
- Inventory rows with stock: 10
- 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 |
|---|---|---|---|---|
| 0.1g | -- | 2 In Stock | Shanghai | Inquiry |
| 0.1g | ≥95% | 2 In Stock | Beijing | Inquiry |
| 0.25g | -- | 2 In Stock | Hong Kong | Inquiry |
| 0.25g | ≥95% | 2 In Stock | Beijing | Inquiry |
| 5g | -- | 2 In Stock | Hong Kong | Inquiry |
| 5g | ≥95% | 2 In Stock | Shenzhen | Inquiry |
| 10g | -- | 2 In Stock | Hong Kong | Inquiry |
| 10g | ≥95% | 2 In Stock | Beijing | Inquiry |
| 1g | -- | 1 In Stock | Hong Kong | Inquiry |
| 1g | ≥95% | 1 In Stock | Hong Kong | Inquiry |
| 1000g | -- | 0 Out of Stock | Shanghai | Inquiry |
3868-04-0 / 3,7,9-trioxatricyclo[4.2.1.02,4]nonan-5-ol
Basic Information
CAS
3868-04-0
Multi CAS
Yes
Molecular Formula
C6H8O4
Molecular Weight
144.120000
Exact Mass
144.042259
InChI
InChI=1S/C6H8O4/c7-3-5-4(10-5)2-1-8-6(3)9-2/h2-7H,1H2
InChIKey
NDCSJPPJAVCLMI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
29.28
TPSA
51.22
LogP / Solubility
WLOGP
-1.13
MLOGP
-1
XLogP3
-1.2
Consensus LogP
-1.11
Log S (ESOL)
-0.02
Class (ESOL)
Very soluble
Log S (Ali)
0.07
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.34
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.4
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
6
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