CAS RN: 14202-14-3
3,5-DIMETHYLADAMANTANE-1-ACIDIC 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.20250808 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS14202-14-3
- Purity/Analytical Methods: >99.0%
14202-14-3 / 2-(3,5-dimethyl-1-adamantyl)acetic acid
Basic Information
CAS
14202-14-3
Multi CAS
No
Molecular Formula
C14H22O2
Molecular Weight
222.320000
Exact Mass
222.161980
SMILES
CC12CC3CC(C1)(CC(C3)(C2)CC(=O)O)C
InChI
InChI=1S/C14H22O2/c1-12-3-10-4-13(2,7-12)9-14(5-10,8-12)6-11(15)16/h10H,3-9H2,1-2H3,(H,15,16)
InChIKey
FUOXJVUIQUYDDI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.93
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
62.09
TPSA
37.3
LogP / Solubility
WLOGP
3.46
MLOGP
3.05
XLogP3
4
Consensus LogP
3.5
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.88
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.22
Class (SILICOS-IT)
Slightly 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)
-1.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7
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