CAS RN: 7756-78-7
2-METHYL-2-(2-NAPHTHYLOXY)PROPANOIC 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.20250326 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS7756-78-7
- Purity/Analytical Methods: >99.0%
7756-78-7 / 2-methyl-2-naphthalen-2-yloxypropanoic acid
Basic Information
CAS
7756-78-7
Multi CAS
Yes
Molecular Formula
C14H14O3
Molecular Weight
230.260000
Exact Mass
230.094294
InChI
InChI=1S/C14H14O3/c1-14(2,13(15)16)17-12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,1-2H3,(H,15,16)
InChIKey
RVAWSQIHNATWNO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.21
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
66.29
TPSA
46.53
LogP / Solubility
WLOGP
3.08
MLOGP
2.72
XLogP3
3.7
Consensus LogP
3.17
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.07
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)
-1.94
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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