CAS RN: 42711-75-1
3-Hydroxy-1-adamantanecarboxylic Acid
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260124 | 1g / 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai, Shandong, Guangdong | Inquiry |
- Product code: SSC-150993
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: 10g, 25g, 1g, 5g, 100g
- Available purity: >97%
- Inventory rows with stock: 4
- 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 |
|---|---|---|---|---|
| 10g | >97% | 5 In Stock | Hong Kong | Inquiry |
| 25g | >97% | 4 In Stock | Shanghai | Inquiry |
| 1g | >97% | 3 In Stock | Hong Kong | Inquiry |
| 5g | >97% | 3 In Stock | Beijing | Inquiry |
| 100g | >97% | 0 Out of Stock | Hong Kong | Inquiry |
42711-75-1 / (5S,7R)-3-hydroxyadamantane-1-carboxylic acid
Basic Information
CAS
42711-75-1
Multi CAS
Yes
Molecular Formula
C11H16O3
Molecular Weight
196.240000
Exact Mass
196.109944
InChI
InChI=1S/C11H16O3/c12-9(13)10-2-7-1-8(3-10)5-11(14,4-7)6-10/h7-8,14H,1-6H2,(H,12,13)/t7-,8+,10?,11?
InChIKey
CJJMAWPEZKYJAP-JZVMUCMXSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.91
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
49.7
TPSA
57.53
LogP / Solubility
WLOGP
1.4
MLOGP
1.23
XLogP3
0.9
Consensus LogP
1.18
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.22
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)
-2.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7
