CAS RN: 69337-85-5
2-(6-Methoxy-2-naphthyl)-2-methylpropanoic 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.20250616 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS69337-85-5
- Purity/Analytical Methods: >99.0%
69337-85-5 / 2-(6-methoxynaphthalen-2-yl)-2-methylpropanoic acid
Basic Information
CAS
69337-85-5
Multi CAS
No
Molecular Formula
C15H16O3
Molecular Weight
244.280000
Exact Mass
244.109944
InChI
InChI=1S/C15H16O3/c1-15(2,14(16)17)12-6-4-11-9-13(18-3)7-5-10(11)8-12/h4-9H,1-3H3,(H,16,17)
InChIKey
IYSPYQQBEYOGFI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
10
Fraction Csp3
0.27
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
71.16
TPSA
46.53
LogP / Solubility
WLOGP
3.21
MLOGP
2.83
XLogP3
3.6
Consensus LogP
3.21
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.88
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.27
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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