CAS RN: 871731-74-7
N-(3-acetyl-7-Methoxynaphthalen-1-yl)acetaMide
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.20250211 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS871731-74-7
- Purity/Analytical Methods: >99.0%
871731-74-7 / N-(3-acetyl-7-methoxynaphthalen-1-yl)acetamide
Basic Information
CAS
871731-74-7
Multi CAS
No
Molecular Formula
C15H15NO3
Molecular Weight
257.280000
Exact Mass
257.105193
InChI
InChI=1S/C15H15NO3/c1-9(17)12-6-11-4-5-13(19-3)8-14(11)15(7-12)16-10(2)18/h4-8H,1-3H3,(H,16,18)
InChIKey
FCRQGDOTCOCADA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
10
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
74.81
TPSA
55.4
LogP / Solubility
WLOGP
3.01
MLOGP
2.66
XLogP3
2
Consensus LogP
2.56
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.84
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.19
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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