CAS RN: 5471-38-5
1-(4-methoxynaphthalen-1-yl)propan-1-one
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260408 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS5471-38-5
- Purity/Analytical Methods: >99.0%
5471-38-5 / 1-(4-methoxynaphthalen-1-yl)propan-1-one
Basic Information
CAS
5471-38-5
Multi CAS
Yes
Molecular Formula
C14H14O2
Molecular Weight
214.260000
Exact Mass
214.099380
InChI
InChI=1S/C14H14O2/c1-3-13(15)11-8-9-14(16-2)12-7-5-4-6-10(11)12/h4-9H,3H2,1-2H3
InChIKey
RRWUTJXRXYJZKO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.21
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
65.12
TPSA
26.3
LogP / Solubility
WLOGP
3.44
MLOGP
3.03
XLogP3
3.3
Consensus LogP
3.26
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.8
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)
-1.58
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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- CAS RN: 5471-46-5
- Product Code: starshine_CAS5471-46-5
- Purity/Analytical method: >99.0%
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