Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 10g, 25g, 100g, 500g, 1000g
- Available purity: ≥98%
- Inventory rows with stock: 8
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 10g | -- | 4 In Stock | Beijing | Inquiry |
| 10g | ≥98% | 4 In Stock | Shanghai | Inquiry |
| 25g | -- | 3 In Stock | Hong Kong | Inquiry |
| 25g | ≥98% | 3 In Stock | Shanghai | Inquiry |
| 100g | -- | 3 In Stock | Shanghai | Inquiry |
| 100g | ≥98% | 3 In Stock | Beijing | Inquiry |
| 500g | -- | 1 In Stock | Shanghai | Inquiry |
| 500g | ≥98% | 1 In Stock | Hong Kong | Inquiry |
| 1000g | -- | 0 Out of Stock | Shanghai | Inquiry |
| 1000g | ≥98% | 0 Out of Stock | Beijing | Inquiry |
93-04-9 / 2-methoxynaphthalene
Basic Information
CAS
93-04-9
Multi CAS
Yes
Molecular Formula
C11H10O
Molecular Weight
158.200000
Exact Mass
158.073165
InChI
InChI=1S/C11H10O/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3
InChIKey
LUZDYPLAQQGJEA-UHFFFAOYSA-N
Physical Properties
Melting Point
72 °C
Boiling Point
274.00 °C. @ 760.00 mm Hg
Physical Description
Pellets or Large Crystals; Dry Powder; Liquid; Dry Powder, Liquid, Other Solid; Other Solid
Solid; [Merck Index] White crystalline powder;
Solid
White shiny crystals, Intensely sweet, orange blossom Acacia-like aroma
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
50.5
TPSA
9.23
LogP / Solubility
WLOGP
2.85
MLOGP
2.5
XLogP3
3.5
Consensus LogP
2.95
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.17
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
