![CAS 856176-37-9 8-Oxabicyclo[3.2.1]octane-3-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/856176-37-9.gif)
CAS RN: 856176-37-9
8-Oxabicyclo[3.2.1]octane-3-carboxylic acid
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.20251217 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: SSC-194093
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 | Shenzhen | Inquiry |
856176-37-9 / 8-oxabicyclo[3.2.1]octane-3-carboxylic acid
Basic Information
CAS
856176-37-9
Multi CAS
No
Molecular Formula
C8H12O3
Molecular Weight
156.180000
Exact Mass
156.078644
InChI
InChI=1S/C8H12O3/c9-8(10)5-3-6-1-2-7(4-5)11-6/h5-7H,1-4H2,(H,9,10)
InChIKey
PQTLQJVGJFXEET-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
38.25
TPSA
46.53
LogP / Solubility
WLOGP
1.03
MLOGP
0.9
XLogP3
0.7
Consensus LogP
0.88
Log S (ESOL)
-1.39
Class (ESOL)
Soluble
Log S (Ali)
-1.58
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.65
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)
-2.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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![CAS 856215-36-6 1-[[4-(Trifluoromethyl)phenyl]carbonyl]-4-piperidinecarboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/856215-36-6.gif)